SCHEMBL1494777

SCHEMBL1494777

Cc1cccc2nc(-c3cccc(NC(=O)C(C)C)c3)cn12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.69
KDM4E B2RXH2 10/20 0.69
ALDH1A1 P00352 6/20 0.69
HPGD P15428 2/20 0.69
SMN1; SMN2 Q16637 7/20 0.67
MAPT P10636 5/20 0.67
LMNA P02545 2/20 0.67
GAA P10253 1/20 0.67
RECQL P46063 1/20 0.67
BLM P54132 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
RAB9A P51151 6/20 0.66
NPC1 O15118 3/20 0.54
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 4/20 0.48
MAPK1 P28482 1/20 0.48
USP2 O75604 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL1494845 0.87 KDM4E (0.71) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1494663 0.79 ALDH1A1 (0.70) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1494775 0.78 MAPT (0.78) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15101505 0.75 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3637310 0.74 TP53 (1.00) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15101506 0.72 MAPT (0.55) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12805649 0.71 MGLL (0.66) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13529014 0.70 SMN1; SMN2 (0.55) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL218109 0.70 ALDH1A1 (0.61) TP53KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11624044 0.69 CNR1 (0.58) TP53KDM4EALDH1A1HPGDSMN1; SMN2

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 6 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-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 TP53 1151/4885KDM4E 2294/4885ALDH1A1 410/4885

“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.