SCHEMBL4943744

SCHEMBL4943744

COCCCn1c(CCCC(=O)NCc2ccccc2OC)nnc1SCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
TP53 P04637 4/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 3/20 0.45
RXFP1 Q9HBX9 3/20 0.44
THRB P10828 1/20 0.44
USP2 O75604 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
SSTR4 P31391 1/20 0.41
SSTR3 P32745 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL4943851 0.96 TP53 (0.49) POLBTP53HPGDALDH1A1MAPT
SCHEMBL4947027 0.90 HPGD (0.52) POLBTP53HPGDALDH1A1MAPT
SCHEMBL4942601 0.90 POLB (0.51) POLBTP53HPGDMAPTRXFP1
SCHEMBL4945336 0.89 POLB (0.55) POLBTP53HPGDALDH1A1MAPT
SCHEMBL4942558 0.89 POLB (0.51) POLBTP53HPGDALDH1A1RXFP1
SCHEMBL4937706 0.88 POLB (0.49) POLBTP53HPGDALDH1A1MAPT
SCHEMBL4938852 0.88 POLB (0.52) POLBTP53HPGDALDH1A1MAPT
SCHEMBL4941925 0.87 POLB (0.48) POLBTP53HPGDALDH1A1MAPT
SCHEMBL4946289 0.87 ALDH1A1 (0.50) POLBTP53HPGDALDH1A1MAPT
SCHEMBL4942955 0.86 POLB (0.52) POLBTP53HPGDMAPTRXFP1

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-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 POLB 4439/4885TP53 4351/4885HPGD 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.