SCHEMBL4944205

SCHEMBL4944205

COc1ccccc1CNC(=O)CCCCc1nnc(SCc2ccc(F)cc2Cl)n1-c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
P2RX7 Q99572 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR8 Q9NR97 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
BRD4 O60885 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
HTR7 P34969 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
SCHEMBL4945638 0.98 LMNA (0.45) LMNATP53HPGDHTTKDM4E
SCHEMBL4941361 0.92 ALDH1A1 (0.45) TP53HPGDHTTKDM4ETHRB
SCHEMBL4946883 0.91 TP53 (0.48) LMNATP53HPGDHTTKDM4E
SCHEMBL4938181 0.91 TP53 (0.46) LMNATP53HPGDHTTKDM4E
SCHEMBL4945672 0.91 HPGD (0.46) TP53HPGDHTTKDM4ETHRB
SCHEMBL4942965 0.90 TP53 (0.43) TP53HPGDHTTKDM4ETHRB
SCHEMBL4945189 0.90 ANO1 (0.44) TP53HPGDHTTKDM4ETHRB
SCHEMBL4944071 0.89 TP53 (0.52) LMNATP53HPGDTHRBRXFP1
SCHEMBL4944445 0.89 HPGD (0.51) LMNATP53HPGDMAPK1NPSR1
SCHEMBL4944049 0.89 ALDH1A1 (0.49) LMNATP53KDM4EP2RX7MAPK1

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 LMNA 3028/4885TP53 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.