SCHEMBL1494819

SCHEMBL1494819

O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
KDM4E B2RXH2 10/20 0.78
SMN1; SMN2 Q16637 9/20 0.78
MAPT P10636 8/20 0.78
POLB P06746 6/20 0.78
RAB9A P51151 6/20 0.78
KMT2A Q03164 5/20 0.78
NPC1 O15118 3/20 0.78
HTT P42858 2/20 0.78
TDP1 Q9NUW8 1/20 0.78
HPGD P15428 5/20 0.71
GLA P06280 1/20 0.71
GAA P10253 1/20 0.71
LMNA P02545 5/20 0.71
GFER P55789 1/20 0.71
MAPK1 P28482 2/20 0.66
TP53 P04637 2/20 0.64
MEN1 O00255 2/20 0.61
PTK2B Q14289 1/20 0.60
PKM P14618 1/20 0.57

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
SCHEMBL1494776 0.88 RAB9A (1.00) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL29484580 0.83 ALDH1A1 (0.81) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL25312016 0.83 ALDH1A1 (0.81) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL1494709 0.82 POLB (1.00) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL1494663 0.82 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL28933829 0.81 ALDH1A1 (0.78) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL1494832 0.80 KDM4E (0.83) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL4727616 0.79 KDM4E (0.82) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL4726858 0.79 SMN1; SMN2 (0.78) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL1494696 0.78 KDM4E (1.00) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB

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 9 patents. 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-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-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
WO-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 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 (1 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-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 ALDH1A1 410/4885KDM4E 2294/4885SMN1; SMN2 4057/4885

“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.