SCHEMBL8737970

SCHEMBL8737970

CCCc1ccc(C(N)=O)cc1Cc1nc(-c2sc(C(=O)N3CCN(C)CC3)nc2C)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 1/20 0.35
TRPV4 Q9HBA0 4/20 0.34
IDH1 O75874 1/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33

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
SCHEMBL8737782 0.85 TRPV4 (0.45) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8738643 0.82 TRPV4 (0.44) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8738038 0.78 TRPV4 (0.44) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8738027 0.77 TRPV4 (0.43) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8738328 0.76 TRPV4 (0.43) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8738336 0.75 MAPT (0.49) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL8738412 0.74 TRPV4 (0.42) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8738707 0.72 MAPT (0.46) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL8737795 0.71 TRPV4 (0.46) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8738844 0.71 TRPV4 (0.43) ALDH1A1MEN1KMT2AHPGDKDM4E

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 IKBKB 1183/4885ALDH1A1 648/4885MEN1 2298/4885

“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.