SCHEMBL1494582

SCHEMBL1494582

COc1ccccc1C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
KDM4E B2RXH2 7/20 0.65
MAPT P10636 4/20 0.65
KMT2A Q03164 3/20 0.65
HPGD P15428 2/20 0.65
MEN1 O00255 1/20 0.62
POLB P06746 4/20 0.58
HRH3 Q9Y5N1 1/20 0.56
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RECQL P46063 1/20 0.53
TP53 P04637 5/20 0.53

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
SCHEMBL1495011 0.89 KDM4E (0.69) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL1494900 0.85 KDM4E (0.64) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL1494891 0.85 TP53 (0.66) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL1495015 0.85 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL4727131 0.84 KDM4E (0.64) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL14679611 0.84 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL12726223 0.84 MAPT (0.73) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL12726189 0.83 KDM4E (0.59) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL12726066 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL12726200 0.82 KDM4E (0.57) ALDH1A1KDM4EMAPTKMT2AHPGD

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 8 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

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 2294/4885MAPT 3985/4885

“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.