SCHEMBL4943639

SCHEMBL4943639

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4944608 0.94 HPGD (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4944995 0.94 MEN1 (0.47) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4944999 0.93 MEN1 (0.46) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4941427 0.92 MEN1 (0.47) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4943956 0.89 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4945565 0.88 HPGD (0.54) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4944186 0.88 MEN1 (0.49) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4945731 0.88 TP53 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4944560 0.88 HPGD (0.46) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4947006 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1CYP3A4CYP2D6

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.