SCHEMBL1494933

SCHEMBL1494933

COc1ccc(CC(=O)Nc2ccc(-c3cn4ccc(C)nc4n3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.71
KDM4E B2RXH2 9/20 0.71
KMT2A Q03164 9/20 0.71
HPGD P15428 8/20 0.71
RAB9A P51151 3/20 0.71
NPC1 O15118 2/20 0.71
SMN1; SMN2 Q16637 4/20 0.67
ADRB2 P07550 1/20 0.67
TP53 P04637 3/20 0.55
THRB P10828 1/20 0.55
MAPT P10636 5/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 7/20 0.53
HSD17B10 Q99714 3/20 0.53
CACNA1B Q00975 2/20 0.53
APBA1 Q02410 2/20 0.53
GAA P10253 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL1494867 0.79 RAB9A (0.67) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL30034264 0.76 SMN1; SMN2 (0.88) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL23657710 0.75 LMNA (0.77) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL1494858 0.74 SMN1; SMN2 (0.59) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL2453779 0.73 SMN1; SMN2 (0.78) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL2185279 0.72 WNT3A (0.77) KDM4EKMT2AHPGDSMN1; SMN2LMNA
SCHEMBL1494849 0.71 RAB9A (0.66) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL13185621 0.71 SMN1; SMN2 (1.00) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL3923158 0.71 SMN1; SMN2 (0.78) ALDH1A1KDM4EKMT2AHPGDRAB9A
SCHEMBL13167586 0.70 SMN1; SMN2 (0.72) ALDH1A1KDM4EKMT2ARAB9ANPC1

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 2294/4885KMT2A 1623/4885

“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.