SCHEMBL8738842

SCHEMBL8738842

Cc1nc(C(=O)N2CCC(N(C)C)CC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 14/20 0.42
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CFTR P13569 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8737969 0.92 TRPV4 (0.43) TRPV4MEN1ALDH1A1MAPTKMT2A
SCHEMBL8737795 0.89 TRPV4 (0.46) TRPV4MEN1ALDH1A1MAPTKMT2A
SCHEMBL8738809 0.88 TRPV4 (0.45) TRPV4MEN1ALDH1A1MAPTKMT2A
SCHEMBL8738037 0.87 TRPV4 (0.46) TRPV4MEN1ALDH1A1MAPTKMT2A
SCHEMBL8737775 0.87 TRPV4 (0.44) TRPV4MEN1ALDH1A1MAPTKMT2A
SCHEMBL8737713 0.86 TRPV4 (0.44) TRPV4MEN1ALDH1A1MAPTKMT2A
SCHEMBL8738410 0.86 TRPV4 (0.43) TRPV4MEN1ALDH1A1MAPTKMT2A
SCHEMBL8737783 0.84 TRPV4 (0.42) TRPV4MEN1ALDH1A1MAPTKMT2A
SCHEMBL8737778 0.84 MEN1 (0.45) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6113997 0.83 TDP1 (0.48) MEN1ALDH1A1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
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 2298/4885ALDH1A1 648/4885

“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.