SCHEMBL8737782

SCHEMBL8737782

CCCc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C(=O)N3CCN(C)CC3)nc2C)cs1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.45
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
OPRM1 P35372 3/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 6/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 4/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL8738643 0.97 TRPV4 (0.44) TRPV4MEN1KMT2AOPRM1ALDH1A1
SCHEMBL8738038 0.93 TRPV4 (0.44) TRPV4MEN1KMT2AOPRM1ALDH1A1
SCHEMBL8738027 0.92 TRPV4 (0.43) TRPV4MEN1KMT2AOPRM1ALDH1A1
SCHEMBL8738328 0.90 TRPV4 (0.43) TRPV4MEN1KMT2AOPRM1ALDH1A1
SCHEMBL8738412 0.89 TRPV4 (0.42) TRPV4MEN1KMT2AOPRM1ALDH1A1
SCHEMBL8738336 0.87 MAPT (0.49) TRPV4MEN1KMT2AALDH1A1MAPT
SCHEMBL8738844 0.86 TRPV4 (0.43) TRPV4MEN1KMT2AOPRM1ALDH1A1
SCHEMBL8737970 0.85 IKBKB (0.37) TRPV4MEN1KMT2AALDH1A1HPGD
SCHEMBL8738707 0.84 MAPT (0.46) TRPV4MEN1KMT2AALDH1A1MAPT
SCHEMBL8737795 0.84 TRPV4 (0.46) TRPV4MEN1KMT2AALDH1A1MAPT

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 3344/4885MEN1 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.