SCHEMBL4942571

SCHEMBL4942571

COc1cccc(-n2c(CCC(=O)NCc3ccccc3OC)nnc2SCc2cc(C)cc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HPGD P15428 4/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 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
SCHEMBL4942023 0.95 HPGD (0.48) ALDH1A1NPSR1HPGDUSP2HSD17B10
SCHEMBL4940554 0.94 ALDH1A1 (0.47) ALDH1A1NPSR1HPGDUSP2HSD17B10
SCHEMBL4943779 0.93 TP53 (0.47) ALDH1A1NPSR1HPGDTSHRMAPT
SCHEMBL4946428 0.93 NPSR1 (0.52) ALDH1A1NPSR1HPGDUSP2HSD17B10
SCHEMBL4937656 0.91 ALDH1A1 (0.52) ALDH1A1NPSR1HPGDMAPTGAA
SCHEMBL4945700 0.90 HPGD (0.49) ALDH1A1NPSR1HPGDUSP2HSD17B10
SCHEMBL4937715 0.89 ALDH1A1 (0.53) ALDH1A1NPSR1HPGDMAPTCYP2D6
SCHEMBL4944589 0.89 ALDH1A1 (0.49) ALDH1A1NPSR1HPGDTSHRMAPT
SCHEMBL4944377 0.88 ALDH1A1 (0.49) ALDH1A1NPSR1HPGDUSP2HSD17B10
SCHEMBL4944755 0.88 HPGD (0.50) ALDH1A1NPSR1HPGDTSHRMAPT

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 ALDH1A1 4091/4885NPSR1 17/4885HPGD 561/4885

“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.