SCHEMBL4941982

SCHEMBL4941982

COc1cccc(-n2c(CCC(=O)NCc3ccccc3OC)nnc2SCc2cccc(C#N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
NPSR1 Q6W5P4 6/20 0.45
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4944169 0.96 HPGD (0.47) ALDH1A1NPSR1GAASMN1; SMN2HPGD
SCHEMBL4946330 0.93 MAPT (0.44) ALDH1A1NPSR1HPGDMEN1KMT2A
SCHEMBL13991614 0.93 ALDH1A1 (0.45) ALDH1A1NPSR1GAASMN1; SMN2HPGD
SCHEMBL4945106 0.91 NPSR1 (0.45) ALDH1A1NPSR1GAASMN1; SMN2HPGD
SCHEMBL4946428 0.91 NPSR1 (0.52) ALDH1A1NPSR1GAASMN1; SMN2HPGD
SCHEMBL4942542 0.90 HPGD (0.48) ALDH1A1NPSR1GAASMN1; SMN2HPGD
SCHEMBL4940554 0.89 ALDH1A1 (0.47) ALDH1A1NPSR1HPGDMEN1KMT2A
SCHEMBL4947311 0.89 TP53 (0.47) ALDH1A1NPSR1GAASMN1; SMN2HPGD
SCHEMBL4944589 0.89 ALDH1A1 (0.49) ALDH1A1NPSR1SMN1; SMN2HPGDMAPT
SCHEMBL4937715 0.89 ALDH1A1 (0.53) ALDH1A1NPSR1SMN1; SMN2HPGDKMT2A

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
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
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 17/4885GAA 4843/4885

“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.