SCHEMBL8738402

SCHEMBL8738402

CCCc1ccc(-c2ncco2)cc1Nc1nc(-c2sc(C)nc2C)cs1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.52
TRPV4 Q9HBA0 5/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NR2F2 P24468 1/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8737951 0.92 MEN1 (0.49) OPRM1MAPTKDM4EALDH1A1TDP1
SCHEMBL8737786 0.88 PIK3CG (0.53) MAPTKDM4EALDH1A1TDP1NPC1
SCHEMBL8738316 0.86 MAPT (0.64) OPRM1TRPV4MAPTKDM4EALDH1A1
SCHEMBL8737764 0.78 MEN1 (0.56) MAPTKDM4EALDH1A1TDP1NPC1
SCHEMBL8738331 0.77 OPRM1 (0.59) OPRM1TRPV4MAPTKDM4EALDH1A1
SCHEMBL8738029 0.76 OPRM1 (0.58) OPRM1TRPV4MAPTKDM4EALDH1A1
SCHEMBL8737701 0.76 OPRM1 (0.58) OPRM1TRPV4MAPTKDM4EALDH1A1
SCHEMBL8737758 0.74 MEN1 (0.58) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL18550645 0.69 OPRM1 (1.00) OPRM1TRPV4MAPTKDM4EALDH1A1
SCHEMBL8737936 0.69 MEN1 (0.56) OPRM1MAPTKDM4EALDH1A1TDP1

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 3274/4885TRPV4 3344/4885MAPT 3531/4885

“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.