SCHEMBL4945459

SCHEMBL4945459

COc1ccccc1CNC(=O)CCCc1nnc(SCc2cccc(Cl)c2)n1-c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
HPGD P15428 2/20 0.52
ALDH1A1 P00352 4/20 0.51
TLR8 Q9NR97 1/20 0.45
GLA P06280 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL4944071 0.98 TP53 (0.52) TP53HPGDALDH1A1TLR8GLA
SCHEMBL4940152 0.98 HPGD (0.53) TP53HPGDALDH1A1GLACYP1A2
SCHEMBL4945331 0.97 ALDH1A1 (0.54) TP53HPGDALDH1A1TLR8GLA
SCHEMBL4944620 0.95 TP53 (0.52) TP53HPGDALDH1A1GLACYP1A2
SCHEMBL4944445 0.94 HPGD (0.51) TP53HPGDALDH1A1TLR8GLA
SCHEMBL4947311 0.93 TP53 (0.47) TP53HPGDALDH1A1TLR8GLA
SCHEMBL4946883 0.93 TP53 (0.48) TP53HPGDALDH1A1TLR8GLA
SCHEMBL4937715 0.92 ALDH1A1 (0.53) TP53HPGDALDH1A1GLACYP1A2
SCHEMBL4941208 0.92 HPGD (0.56) TP53HPGDALDH1A1TLR8GLA
SCHEMBL4945531 0.92 TP53 (0.51) TP53HPGDALDH1A1GLACYP1A2

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 7 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
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 TP53 4351/4885HPGD 561/4885ALDH1A1 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.