SCHEMBL8738029

SCHEMBL8738029

CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.58
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
TRPV4 Q9HBA0 3/20 0.52
GAA P10253 2/20 0.51
XDH P47989 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL8737936 0.92 MEN1 (0.56) OPRM1MEN1KMT2AGAANPC1
SCHEMBL8738331 0.91 OPRM1 (0.59) OPRM1MEN1KMT2ATRPV4GAA
SCHEMBL8737779 0.89 MEN1 (0.59) MEN1KMT2AGAARAB9AKDM4E
SCHEMBL8738636 0.88 OPRM1 (0.54) OPRM1MEN1KMT2ATRPV4GAA
SCHEMBL6114428 0.86 MAPT (0.57) OPRM1MEN1KMT2ATRPV4GAA
SCHEMBL8737943 0.86 OPRM1 (0.60) OPRM1MEN1KMT2ATRPV4GAA
SCHEMBL6114003 0.85 MEN1 (0.63) OPRM1MEN1KMT2ATRPV4GAA
SCHEMBL8738391 0.85 TDP1 (0.63) OPRM1MEN1KMT2AGAANPC1
SCHEMBL8738330 0.84 ALDH1A1 (0.42) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL8739106 0.84 MAPT (0.67) OPRM1MEN1KMT2ATRPV4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 OPRM1 3274/4885MEN1 2298/4885KMT2A 2435/4885

“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.