SCHEMBL4947334

SCHEMBL4947334

COc1ccccc1CNC(=O)CCc1nnc(SCc2cccc(C)c2)n1Cc1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 4/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL4944811 0.97 HPGD (0.48) RXFP1LMNAMAPTTHRBHPGD
SCHEMBL4942607 0.94 LMNA (0.52) RXFP1LMNAMAPTTHRBHPGD
SCHEMBL4940605 0.93 RXFP1 (0.46) RXFP1LMNAMAPTTHRBHPGD
SCHEMBL4944701 0.90 HPGD (0.46) LMNAMAPTHPGDKDM4EMEN1
SCHEMBL4945778 0.89 HPGD (0.54) LMNAMAPTTHRBHPGDMEN1
SCHEMBL4945586 0.89 TP53 (0.52) LMNAMAPTTHRBHPGDKDM4E
SCHEMBL4947006 0.88 MEN1 (0.49) LMNAMAPTHPGDMEN1ALDH1A1
SCHEMBL4945710 0.88 ALDH1A1 (0.49) LMNAMAPTHPGDKDM4EALDH1A1
SCHEMBL4937706 0.88 POLB (0.49) RXFP1MAPTHPGDALDH1A1TP53
SCHEMBL4945755 0.85 RXFP1 (0.49) RXFP1LMNATHRBHPGDKDM4E

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 8 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
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 EP 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 RXFP1 95/4885LMNA 3028/4885MAPT 3974/4885

“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.