SCHEMBL4945324

SCHEMBL4945324

C=CCn1c(CCCCC(=O)NCc2ccccc2)nnc1SCc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ALDH1A1 P00352 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 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
SCHEMBL4938167 0.90 MEN1 (0.58) MEN1KMT2ANPSR1ALDH1A1CYP2D6
SCHEMBL4945731 0.88 TP53 (0.48) MEN1KMT2ANPSR1ALDH1A1CYP2D6
SCHEMBL4945547 0.88 ALDH1A1 (0.53) MEN1KMT2ANPSR1ALDH1A1CYP2D6
SCHEMBL4943001 0.84 ALDH1A1 (0.49) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL4947045 0.84 ALDH1A1 (0.56) MEN1KMT2ANPSR1ALDH1A1CYP2D6
SCHEMBL4947203 0.84 ALDH1A1 (0.58) MEN1KMT2ANPSR1ALDH1A1CYP2D6
SCHEMBL4945055 0.84 MEN1 (0.53) MEN1KMT2ANPSR1ALDH1A1CYP2D6
SCHEMBL4945306 0.83 MEN1 (0.61) MEN1KMT2ANPSR1ALDH1A1CYP2D6
SCHEMBL4944687 0.81 ALDH1A1 (0.57) MEN1KMT2ANPSR1ALDH1A1CYP2D6
SCHEMBL4944607 0.81 ALDH1A1 (0.57) MEN1KMT2ANPSR1ALDH1A1CYP2D6

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 4770/4885NPSR1 17/4885

“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.