SCHEMBL1494965

SCHEMBL1494965

COc1ccc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
SMN1; SMN2 Q16637 4/20 0.67
HTT P42858 1/20 0.60
POLB P06746 1/20 0.58
ALDH1A1 P00352 1/20 0.56
TP53 P04637 2/20 0.56
THRB P10828 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL13531815 0.79 MEN1 (0.66) MAPTSMN1; SMN2TP53RAB9A
SCHEMBL1494880 0.78 TP53 (0.67) MAPTSMN1; SMN2HTTTP53RAB9A
SCHEMBL1494667 0.77 L3MBTL1 (0.58) MAPTSMN1; SMN2HTTPOLBALDH1A1
SCHEMBL1494764 0.77 MAPT (0.73) MAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL18581825 0.76 MAPT (0.69) MAPTSMN1; SMN2HTTPOLBTP53
SCHEMBL27306272 0.75 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1THRB
SCHEMBL29631038 0.75 HPGD (0.64) MAPTSMN1; SMN2POLBTP53RAB9A
SCHEMBL15101544 0.75 HPGD (0.64) MAPTSMN1; SMN2POLBTP53RAB9A
SCHEMBL1494866 0.75 MAPT (0.89) MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL15611426 0.75 MAPT (0.61) MAPTSMN1; SMN2ALDH1A1

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 5 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

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 MAPT 3985/4885SMN1; SMN2 4057/4885HTT 479/4885

“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.