SCHEMBL4945565

SCHEMBL4945565

COc1ccccc1CNC(=O)CCCCc1nnc(SCc2ccc(C)cc2)n1CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
RXFP1 Q9HBX9 3/20 0.50
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 3/20 0.47
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
THRB P10828 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
SCHEMBL4947233 0.96 HPGD (0.58) HPGDRXFP1ALDH1A1NPSR1LMNA
SCHEMBL4942008 0.94 HPGD (0.54) HPGDRXFP1ALDH1A1NPSR1LMNA
SCHEMBL4942937 0.93 HPGD (0.53) HPGDRXFP1ALDH1A1NPSR1LMNA
SCHEMBL4940145 0.92 HPGD (0.52) HPGDRXFP1ALDH1A1NPSR1LMNA
SCHEMBL4947228 0.91 HPGD (0.55) HPGDRXFP1ALDH1A1NPSR1MEN1
SCHEMBL4941241 0.89 HPGD (0.54) HPGDRXFP1ALDH1A1NPSR1MEN1
SCHEMBL4945336 0.89 POLB (0.55) HPGDRXFP1ALDH1A1NPSR1LMNA
SCHEMBL4944388 0.88 HPGD (0.52) HPGDRXFP1ALDH1A1NPSR1KDM4E
SCHEMBL4947027 0.88 HPGD (0.52) HPGDRXFP1ALDH1A1NPSR1LMNA
SCHEMBL4943639 0.88 MEN1 (0.55) HPGDRXFP1ALDH1A1NPSR1LMNA

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 10 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
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO 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 561/4885RXFP1 95/4885ALDH1A1 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.