SCHEMBL4942965

SCHEMBL4942965

COc1ccccc1CNC(=O)CCCCc1nnc(SCc2c(F)c(F)c(F)c(F)c2F)n1-c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
TLR8 Q9NR97 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
HTR7 P34969 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RECQL P46063 1/20 0.41
BCHE P06276 1/20 0.41
CHRM2 P08172 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL4941361 0.92 ALDH1A1 (0.45) TP53TLR8HPGDKDM4ETHRB
SCHEMBL4938181 0.92 TP53 (0.46) TP53TLR8HPGDKDM4ETHRB
SCHEMBL4944071 0.91 TP53 (0.52) TP53TLR8HPGDTHRBMAPT
SCHEMBL4944445 0.91 HPGD (0.51) TP53TLR8HPGDMAPTHTR7
SCHEMBL4944205 0.90 LMNA (0.44) TP53TLR8HPGDKDM4ETHRB
SCHEMBL4946883 0.90 TP53 (0.48) TP53TLR8HPGDKDM4ETHRB
SCHEMBL4945672 0.90 HPGD (0.46) TP53TLR8HPGDKDM4ETHRB
SCHEMBL4945189 0.90 ANO1 (0.44) TP53TLR8HPGDKDM4ETHRB
SCHEMBL4945638 0.89 LMNA (0.45) TP53TLR8HPGDKDM4ETHRB
SCHEMBL4944620 0.89 TP53 (0.52) TP53HPGDMAPTMAPK1NPSR1

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 TP53 4351/4885TLR8 2282/4885HPGD 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.