SCHEMBL4944811

SCHEMBL4944811

COc1ccccc1CNC(=O)CCc1nnc(SCc2cccc(C)c2)n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44
HDAC6 Q9UBN7 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ISG15 P05161 1/20 0.43
USP5 P45974 1/20 0.43
USP16 Q9Y5T5 1/20 0.43
USP3 Q9Y6I4 1/20 0.43
SIRT2 Q8IXJ6 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
SCHEMBL4947334 0.97 RXFP1 (0.48) HPGDLMNAMAPTTHRBGAA
SCHEMBL4945778 0.92 HPGD (0.54) HPGDLMNAMAPTTHRBMEN1
SCHEMBL4945586 0.92 TP53 (0.52) HPGDLMNAMAPTTHRBMEN1
SCHEMBL4942607 0.92 LMNA (0.52) HPGDLMNAMAPTTHRBMEN1
SCHEMBL4944701 0.91 HPGD (0.46) HPGDLMNAMAPTMEN1NPC1
SCHEMBL4940605 0.90 RXFP1 (0.46) HPGDLMNAMAPTTHRBRXFP1
SCHEMBL4947006 0.90 MEN1 (0.49) HPGDLMNAMAPTGAAMEN1
SCHEMBL4937706 0.89 POLB (0.49) HPGDMAPTTP53RXFP1
SCHEMBL4940145 0.87 HPGD (0.52) HPGDLMNAMAPTTHRBMEN1
SCHEMBL4941213 0.87 HPGD (0.50) HPGDLMNAMAPTTHRBGAA

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 HPGD 561/4885LMNA 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.