SCHEMBL4283884

SCHEMBL4283884

Clc1ccc(-c2csc(-c3ccncc3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
LMNA P02545 3/20 1.00
AR P10275 2/20 0.70
NPC1 O15118 2/20 0.70
CYP19A1 P11511 6/20 0.69
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.65
ESR1 P03372 1/20 0.58
SREBF2 Q12772 1/20 0.56
MAPT P10636 1/20 0.55
ATM Q13315 1/20 0.55
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54

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
SCHEMBL11466217 0.93 KDM4E (0.86) KDM4ERAB9ASMN1; SMN2LMNAAR
SCHEMBL11455457 0.86 RAB9A (0.75) KDM4ERAB9ASMN1; SMN2LMNAAR
SCHEMBL4281217 0.86 RAB9A (0.75) KDM4ERAB9ASMN1; SMN2LMNAAR
SCHEMBL28493960 0.84 SMN1; SMN2 (0.73) KDM4ERAB9ASMN1; SMN2LMNAAR
SCHEMBL28495695 0.84 KDM4E (0.73) KDM4ERAB9ASMN1; SMN2LMNAAR
SCHEMBL11456620 0.84 KDM4E (0.73) KDM4ERAB9ASMN1; SMN2LMNAAR
SCHEMBL28522859 0.84 RAB9A (0.73) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL5647626 0.84 KDM4E (0.73) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL26123840 0.84 KDM4E (0.73) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL28492254 0.83 KDM4E (0.71) KDM4ERAB9ASMN1; SMN2LMNAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778976-B2 Compositions and methods for the treatment of metabolic disorders BAYLOR COLLEGE OF MEDICINE (US) 2014-07-15 US claimed
US-20130012538-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2013-01-10 US claimed
US-20130005768-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2013-01-03 US claimed
US-8207196-B2 Compositions and methods for the treatment of metabolic disorders BAYLOR COLLEGE OF MEDICINE (US) 2012-06-26 US claimed
EP-2120580-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS Baylor College Of Medicine (US) 2009-11-25 EP claimed
US-20090131475-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2009-05-21 US claimed
WO-2008097835-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2008-08-14 WO claimed
US-20180291013-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC AND RELATED DISORDERS BAYLOR COLLEGE OF MEDICINE 2018-10-11 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
EP-2120580-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE MEDICINE (US) 2017-12-27 EP disclosed
US-9713613-B2 Methods and compositions for the treatment of cancer and related hyperproliferative disorders BAYLOR COLLEGE OF MEDICINE 2017-07-25 US disclosed
US-20160257675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE MEDICINE (US) 2016-09-08 US disclosed
US-20160221999-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE MEDICINE (US) 2016-08-04 US disclosed
US-20130012538-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2013-01-10 US disclosed
US-20130005768-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2013-01-03 US disclosed
US-8207196-B2 Compositions and methods for the treatment of metabolic disorders BAYLOR COLLEGE OF MEDICINE (US) 2012-06-26 US disclosed
CN-101674730-A The composition and the method that are used for the treatment of metabolic disease BAYLOR COLLEGE MEDICINE 2010-03-17 CN disclosed
EP-2120580-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS Baylor College Of Medicine (US) 2009-11-25 EP disclosed
US-20090131475-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2009-05-21 US disclosed
WO-2008097835-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2008-08-14 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 2557/4885RAB9A 3982/4885SMN1; SMN2 2848/4885
US-20180291013-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC AND RELATED DISORDERS FABP4, LIPC, PNLIP KDM4E 2808/4885RAB9A 3100/4885SMN1; SMN2 3787/4885
US-20130012538-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS FABP4, LIPC, FABP1 KDM4E 2880/4885RAB9A 3381/4885SMN1; SMN2 3712/4885
US-20130005768-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS FABP4, LIPC, FABP1 KDM4E 2880/4885RAB9A 3381/4885SMN1; SMN2 3712/4885
US-20160257675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS FABP4, LIPC, FABP1 KDM4E 2880/4885RAB9A 3381/4885SMN1; SMN2 3712/4885
US-20160221999-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS FABP4, LIPC, FABP1 KDM4E 2880/4885RAB9A 3381/4885SMN1; SMN2 3712/4885
US-20090131475-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS FABP4, LIPC, FABP1 KDM4E 2849/4885RAB9A 3385/4885SMN1; SMN2 3732/4885

“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.