SCHEMBL4945586

SCHEMBL4945586

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 3/20 0.47
THRB P10828 3/20 0.47
MAPT P10636 2/20 0.47
ISG15 P05161 1/20 0.45
USP5 P45974 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
USP16 Q9Y5T5 1/20 0.45
USP3 Q9Y6I4 1/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 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
SCHEMBL4945778 0.92 HPGD (0.54) HPGDALDH1A1LMNATHRBMAPT
SCHEMBL4944811 0.92 HPGD (0.48) TP53HPGDLMNATHRBMAPT
SCHEMBL4938822 0.90 TP53 (0.54) TP53HPGDALDH1A1LMNATHRB
SCHEMBL4943851 0.90 TP53 (0.49) TP53HPGDALDH1A1LMNATHRB
SCHEMBL4947334 0.89 RXFP1 (0.48) TP53HPGDALDH1A1LMNATHRB
SCHEMBL4942607 0.88 LMNA (0.52) TP53HPGDALDH1A1LMNATHRB
SCHEMBL4947027 0.88 HPGD (0.52) TP53HPGDALDH1A1LMNATHRB
SCHEMBL4945531 0.87 TP53 (0.51) TP53HPGDALDH1A1LMNATHRB
SCHEMBL4940605 0.87 RXFP1 (0.46) HPGDALDH1A1LMNATHRBMAPT
SCHEMBL4941213 0.87 HPGD (0.50) HPGDALDH1A1LMNATHRBMAPT

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 7 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

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 TP53 4351/4885HPGD 561/4885ALDH1A1 4091/4885

“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.