SCHEMBL1494576

SCHEMBL1494576

Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2cn3ccccc3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.68
SMN1; SMN2 Q16637 8/20 0.68
RAB9A P51151 6/20 0.68
LMNA P02545 4/20 0.68
POLB P06746 4/20 0.68
GFER P55789 1/20 0.68
MAPK1 P28482 2/20 0.66
ALDH1A1 P00352 11/20 0.64
HPGD P15428 5/20 0.61
NPC1 O15118 3/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 4/20 0.60
KMT2A Q03164 2/20 0.60
PTK2B Q14289 1/20 0.55
PARP1 P09874 1/20 0.54
CASP3 P42574 1/20 0.52
SMO Q99835 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1494847 0.91 ALDH1A1 (0.72) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL25312016 0.79 ALDH1A1 (0.81) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL29484580 0.79 ALDH1A1 (0.81) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL1494756 0.77 RAB9A (0.79) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL1494819 0.77 ALDH1A1 (1.00) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL4726858 0.77 SMN1; SMN2 (0.78) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL28933829 0.77 ALDH1A1 (0.78) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL4781504 0.77 KDM4E (0.77) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL1494696 0.76 KDM4E (1.00) KDM4ESMN1; SMN2RAB9ALMNAPOLB
SCHEMBL14076569 0.76 KDM4E (0.72) KDM4ESMN1; SMN2RAB9ALMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
US-20180071289-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER AND RELATED HYPERPROLIFERATIVE DISORDERS UESUGI MOTONARI (JP) 2018-03-15 US disclosed
US-20180071289-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER AND RELATED HYPERPROLIFERATIVE DISORDERS UESUGI MOTONARI (JP) 2018-03-15 US disclosed
US-20160136164-A1 Methods and Compositions for the Treatment of Cancer and Related Hyperproliferative Disorders BAYLOR COLLEGE OF MEDICINE (US) 2016-05-19 US disclosed
US-20160136164-A1 Methods and Compositions for the Treatment of Cancer and Related Hyperproliferative Disorders BAYLOR COLLEGE OF MEDICINE (US) 2016-05-19 US disclosed
US-20160128985-A1 Methods and Compositions for the Treatment of Body Weight Related Disorders BAYLOR COLLEGE OF MEDICINE (US) 2016-05-12 US disclosed
US-20160128985-A1 Methods and Compositions for the Treatment of Body Weight Related Disorders BAYLOR COLLEGE OF MEDICINE (US) 2016-05-12 US disclosed
US-9233941-B2 Methods and compositions for the treatment of body weight related disorders BAYLOR COLLEGE OF MEDICINE (US) 2016-01-12 US disclosed
US-9233941-B2 Methods and compositions for the treatment of body weight related disorders BAYLOR COLLEGE OF MEDICINE (US) 2016-01-12 US disclosed
US-20150307501-A1 Compositions and Methods for the Treatment of Metabolic and Related Disorders BAYLOR COLLEGE OF MEDICINE (US) 2015-10-29 US disclosed
US-20140045854-A1 Methods and Compositions for the Treatment of Cancer and Related Hyperproliferative Disorders BAYLOR COLLEGE OF MEDICINE 2014-02-13 US disclosed
US-20140045854-A1 Methods and Compositions for the Treatment of Cancer and Related Hyperproliferative Disorders BAYLOR COLLEGE OF MEDICINE 2014-02-13 US disclosed
US-20140038984-A1 Compositions and Methods for the Treatment of Metabolic and Related Disorders BAYLOR COLLEGE OF MEDICINE 2014-02-06 US disclosed
US-20140038984-A1 Compositions and Methods for the Treatment of Metabolic and Related Disorders BAYLOR COLLEGE OF MEDICINE 2014-02-06 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
WO-2009077956-A2 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2009-06-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180071289-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER AND RELATED HYPERPROLIFERATIVE DISORDERS HCCS, PCNA, MKI67 KDM4E 2557/4885SMN1; SMN2 2848/4885RAB9A 3982/4885
US-20160128985-A1 Methods and Compositions for the Treatment of Body Weight Related Disorders ABAT, CPT1B, LRBA KDM4E 1519/4885SMN1; SMN2 1571/4885RAB9A 4384/4885
US-20140045854-A1 Methods and Compositions for the Treatment of Cancer and Related Hyperproliferative Disorders HCCS, PCNA, MKI67 KDM4E 2557/4885SMN1; SMN2 2848/4885RAB9A 3982/4885
US-20150307501-A1 Compositions and Methods for the Treatment of Metabolic and Related Disorders FABP4, LIPC, PC KDM4E 1844/4885SMN1; SMN2 3806/4885RAB9A 3136/4885
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 KDM4E 2294/4885SMN1; SMN2 4057/4885RAB9A 1191/4885
US-20140038984-A1 Compositions and Methods for the Treatment of Metabolic and Related Disorders FABP4, LIPC, PC KDM4E 1844/4885SMN1; SMN2 3806/4885RAB9A 3136/4885
US-20160136164-A1 Methods and Compositions for the Treatment of Cancer and Related Hyperproliferative Disorders HCCS, PCNA, MKI67 KDM4E 2515/4885SMN1; SMN2 2843/4885RAB9A 3989/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.