SCHEMBL8738646

SCHEMBL8738646

CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C(=O)NC3CCN(C(C)C)CC3)nc2C)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.38
OPRM1 P35372 3/20 0.37
F10 P00742 1/20 0.37
HTT P42858 3/20 0.36
ALOX12 P18054 3/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 4/20 0.36
PARP1 P09874 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ROCK2 O75116 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL8738844 0.92 TRPV4 (0.43) TRPV4ITGB3ITGA2BMEN1KMT2A
SCHEMBL8738382 0.88 MAPT (0.47) TRPV4ITGB3ITGA2BMEN1KMT2A
SCHEMBL8738027 0.87 TRPV4 (0.43) TRPV4MEN1KMT2AALDH1A1MAPT
SCHEMBL8738325 0.86 TRPV4 (0.42) TRPV4ITGB3ITGA2BMEN1KMT2A
SCHEMBL8738412 0.84 TRPV4 (0.42) TRPV4MEN1KMT2AALDH1A1MAPT
SCHEMBL8737782 0.80 TRPV4 (0.45) TRPV4MEN1KMT2AALDH1A1MAPT
SCHEMBL8738385 0.80 TRPV4 (0.42) TRPV4MEN1KMT2AALDH1A1MAPT
SCHEMBL8738769 0.80 MAPT (0.48) TRPV4MEN1KMT2AALDH1A1MAPT
SCHEMBL8738038 0.80 TRPV4 (0.44) TRPV4MEN1KMT2AALDH1A1MAPT
SCHEMBL8737936 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTOPRM1

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 TRPV4 3344/4885ITGB3 701/4885ITGA2B 1437/4885

“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.