SCHEMBL4944388

SCHEMBL4944388

COc1ccccc1CNC(=O)CCCCc1nnc(SCc2cccc(F)c2)n1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 3/20 0.43
HTR7 P34969 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4942008 0.93 HPGD (0.54) HPGDALDH1A1ALOX15MAPK1MAPT
SCHEMBL4942558 0.93 POLB (0.51) HPGDALDH1A1POLBRXFP1HTR7
SCHEMBL4947233 0.92 HPGD (0.58) HPGDALDH1A1ALOX15MAPK1MAPT
SCHEMBL4940145 0.92 HPGD (0.52) HPGDALDH1A1ALOX15MAPK1MAPT
SCHEMBL4947027 0.91 HPGD (0.52) HPGDALDH1A1ALOX15MAPK1MAPT
SCHEMBL4947058 0.90 HPGD (0.51) HPGDALDH1A1ALOX15MAPK1MAPT
SCHEMBL4941241 0.90 HPGD (0.54) HPGDALDH1A1ALOX15MAPK1MAPT
SCHEMBL4944560 0.90 HPGD (0.46) HPGDALDH1A1MAPTPOLBNPSR1
SCHEMBL4942937 0.89 HPGD (0.53) HPGDALDH1A1ALOX15MAPK1MAPT
SCHEMBL4944436 0.89 HPGD (0.50) HPGDALDH1A1MAPK1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 EP 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 561/4885ALDH1A1 4091/4885ALOX15 1424/4885

“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.