SCHEMBL4125587

SCHEMBL4125587

COc1ccc(NC(=S)N2CCC(CNC(=O)O)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
BRD4 O60885 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
PABPC1 P11940 2/20 0.44

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
SCHEMBL4130196 0.81 HTT (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4126551 0.81 NAMPT (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4125589 0.80 ALDH1A1 (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16672287 0.80 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL4386794 0.79 ALDH1A1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16672286 0.78 KMT2A (0.49) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4126374 0.77 SMN1; SMN2 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4120219 0.75 OXTR (0.53) MAPTKDM4E
SCHEMBL8271763 0.75 MEN1 (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4119415 0.74 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-8207198-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2012-06-26 US disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 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 (2 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-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR MEN1 2713/4885KMT2A 4365/4885MAPT 1696/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR MEN1 2713/4885KMT2A 4365/4885MAPT 1696/4885

“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.