SCHEMBL8737781

SCHEMBL8737781

Cc1nc(C)c(-c2csc(Nc3cc(C#N)ccc3OC(C)C)n2)s1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
OPRM1 P35372 8/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
Bromide SCHEMBL6114240 0.99 TRPV4 (0.60) TRPV4MEN1KMT2AMAPTGAA
SCHEMBL8738768 0.91 MEN1 (0.59) TRPV4MEN1KMT2AMAPTGAA
Bromide SCHEMBL6114588 0.90 MEN1 (0.58) TRPV4MEN1KMT2AMAPTGAA
SCHEMBL8738372 0.89 MEN1 (0.74) TRPV4MEN1KMT2AMAPTGAA
SCHEMBL8737944 0.86 MMP9 (0.58) MEN1KMT2AMAPTGAANPSR1
Bromide SCHEMBL6114288 0.86 MMP9 (0.57) MEN1KMT2AMAPTGAANPSR1
SCHEMBL14053015 0.85 MEN1 (0.61) TRPV4MEN1KMT2AMAPTGAA
SCHEMBL14053717 0.82 MAPT (0.72) TRPV4MEN1KMT2AMAPTGAA
SCHEMBL6114017 0.82 MEN1 (0.57) TRPV4MEN1KMT2AMAPTGAA
SCHEMBL8737956 0.82 MEN1 (0.57) TRPV4MEN1KMT2AMAPTGAA

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
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
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO 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.