SCHEMBL4944995

SCHEMBL4944995

C=CCn1c(CCCCC(=O)NCc2ccccc2OC)nnc1SCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
PLA2G7 Q13093 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SLC27A1 Q6PCB7 1/20 0.42
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
CTDSP1 Q9GZU7 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
SCHEMBL4944186 0.94 MEN1 (0.49) MEN1KMT2AALDH1A1CYP3A4GAA
SCHEMBL4944608 0.94 HPGD (0.53) MEN1KMT2AALDH1A1CYP3A4GAA
SCHEMBL4943639 0.94 MEN1 (0.55) MEN1KMT2AALDH1A1CYP3A4GAA
SCHEMBL4944560 0.93 HPGD (0.46) MEN1KMT2AALDH1A1CYP3A4GAA
SCHEMBL4944999 0.90 MEN1 (0.46) MEN1KMT2AALDH1A1CYP3A4GAA
SCHEMBL4943956 0.89 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CYP3A4GAA
SCHEMBL4941427 0.89 MEN1 (0.47) MEN1KMT2AALDH1A1CYP3A4GAA
SCHEMBL4942008 0.88 HPGD (0.54) KMT2AALDH1A1HPGDNPSR1PLA2G7
SCHEMBL4945731 0.88 TP53 (0.48) MEN1KMT2AALDH1A1CYP3A4GAA
SCHEMBL4944428 0.88 POLB (0.53) MEN1KMT2AALDH1A1HPGDPLA2G7

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 MEN1 3430/4885KMT2A 4770/4885ALDH1A1 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.