SCHEMBL1495025

SCHEMBL1495025

CS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.68
SMN1; SMN2 Q16637 5/20 0.66
KMT2A Q03164 2/20 0.66
HPGD P15428 1/20 0.62
NPBWR1 P48145 1/20 0.56
MCHR1 Q99705 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
RORC P51449 1/20 0.54
TNF P01375 1/20 0.53
RAB9A P51151 1/20 0.53
NOD1 Q9Y239 1/20 0.53
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL1495244 0.82 HPGD (0.70) TP53SMN1; SMN2KMT2AHPGDNPBWR1
SCHEMBL15101544 0.77 HPGD (0.64) TP53SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL29631038 0.77 HPGD (0.64) TP53SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL19002574 0.76 HPGD (0.62) TP53SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL912730 0.75 HPGD (0.59) TP53SMN1; SMN2HPGDNPBWR1MCHR1
SCHEMBL10341777 0.74 HSP90AA1 (0.85) SMN1; SMN2KMT2AHPGDLMNAKDM4E
SCHEMBL1494880 0.73 TP53 (0.67) TP53SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL19002579 0.73 HPGD (0.58) TP53SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL1494918 0.72 TP53 (0.64) TP53SMN1; SMN2KMT2AHPGDMAPT
SCHEMBL18392354 0.71 MCL1 (0.76) TP53SMN1; SMN2KMT2AMAPTLMNA

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 TP53 1151/4885SMN1; SMN2 4057/4885KMT2A 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.