SCHEMBL8737951

SCHEMBL8737951

CCCc1ccc(-c2ncco2)cc1Nc1nc(-c2sc(N)nc2C)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.49
KMT2A Q03164 13/20 0.49
NPC1 O15118 7/20 0.49
MAPT P10636 9/20 0.48
GAA P10253 8/20 0.48
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
POLB P06746 2/20 0.48
THRB P10828 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
MCL1 Q07820 1/20 0.48
HSD17B10 Q99714 6/20 0.47
USP2 O75604 4/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47

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
SCHEMBL8738402 0.92 OPRM1 (0.52) MEN1KMT2ANPC1MAPTGAA
SCHEMBL8737786 0.87 PIK3CG (0.53) MEN1KMT2ANPC1MAPTGAA
SCHEMBL8737764 0.86 MEN1 (0.56) MEN1KMT2ANPC1MAPTGAA
SCHEMBL8738316 0.78 MAPT (0.64) MEN1KMT2ANPC1MAPTGAA
SCHEMBL8738391 0.77 TDP1 (0.63) MEN1KMT2ANPC1MAPTGAA
SCHEMBL8737936 0.77 MEN1 (0.56) MEN1KMT2ANPC1MAPTGAA
SCHEMBL8737758 0.73 MEN1 (0.58) MEN1KMT2ANPC1MAPTGAA
SCHEMBL8737701 0.70 OPRM1 (0.58) MEN1KMT2ANPC1MAPTGAA
SCHEMBL8738029 0.70 OPRM1 (0.58) MEN1KMT2ANPC1MAPTGAA
SCHEMBL18561601 0.69 OPRM1 (0.80) MEN1KMT2ANPC1MAPTGAA

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 MEN1 2298/4885KMT2A 2435/4885NPC1 4815/4885

“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.