SCHEMBL1494700

SCHEMBL1494700

CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
TP53 P04637 4/20 0.67
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
MAPT P10636 7/20 0.64
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
GAA P10253 2/20 0.61
GFER P55789 1/20 0.61
ALDH1A1 P00352 3/20 0.57
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 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
SCHEMBL1494880 0.78 TP53 (0.67) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL19002574 0.77 HPGD (0.62) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL29631038 0.75 HPGD (0.64) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL15101544 0.75 HPGD (0.64) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL108116 0.75 NPC1 (1.00) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL27179668 0.73 RAB9A (0.90) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL27181023 0.73 ALDH1A1 (0.79) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL27180872 0.72 MAPT (0.72) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL16621359 0.71 HSF1 (0.67) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL19002579 0.71 HPGD (0.58) SMN1; SMN2TP53MEN1KMT2AMAPT

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-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 SMN1; SMN2 4057/4885TP53 1151/4885MEN1 2949/4885

“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.