SCHEMBL4940658

SCHEMBL4940658

COc1ccccc1CNC(=O)CCc1nnc(SCc2cccc(F)c2)n1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.49
ALDH1A1 P00352 4/20 0.49
GPBAR1 Q8TDU6 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 4/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL4945464 0.96 ALDH1A1 (0.47) NPSR1ALDH1A1GPBAR1MAPTTP53
SCHEMBL4942583 0.94 NPSR1 (0.47) NPSR1ALDH1A1GPBAR1MAPTTP53
SCHEMBL4943688 0.93 NPSR1 (0.54) NPSR1ALDH1A1MAPTTP53MAPK1
SCHEMBL4946305 0.93 TP53 (0.52) NPSR1ALDH1A1GPBAR1MAPTTP53
SCHEMBL4944589 0.93 ALDH1A1 (0.49) NPSR1ALDH1A1MAPTTP53MAPK1
SCHEMBL4946352 0.93 MAPT (0.51) NPSR1ALDH1A1GPBAR1MAPTTP53
SCHEMBL4944436 0.91 HPGD (0.50) NPSR1ALDH1A1MAPTTP53MAPK1
SCHEMBL4945106 0.91 NPSR1 (0.45) NPSR1ALDH1A1GPBAR1MAPTTP53
SCHEMBL4945710 0.89 ALDH1A1 (0.49) NPSR1ALDH1A1MAPTTP53MAPK1
SCHEMBL4944749 0.88 HPGD (0.49) NPSR1ALDH1A1MAPTTP53MAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US claimed
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 EP claimed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 US claimed
EP-1458381-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 EP claimed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO claimed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 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-20050187275-A1 Triazoles as oxytocin antagonists OXTR, AVPR2, AVPR1B NPSR1 17/4885ALDH1A1 4091/4885GPBAR1 606/4885

“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.