SCHEMBL8277683

SCHEMBL8277683

Cn1ncc2c3nc(Nc4cc(S(N)(=O)=O)ccc4OC(C)(F)F)sc3ccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TNNI3K Q59H18 3/20 0.32
CCR4 P51679 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
IDH1 O75874 2/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL8278710 0.94 TNNI3K (0.37) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL6126486 0.89 KMT2A (0.43) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL8278713 0.87 NPC1 (0.35) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL8277692 0.85 AR (0.39) KMT2ACCNA2CDK2
SCHEMBL8277638 0.84 TNNI3K (0.34) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL8278823 0.82 TNNI3K (0.38) NPC1RAB9AMEN1KMT2ACA12
Hydrochloric Acid SCHEMBL6117847 0.81 TNNI3K (0.38) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL6126480 0.81 KDM4E (0.39) NPC1RAB9AMEN1KMT2ACCR4
SCHEMBL8277700 0.80 MEN1 (0.37) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL8277709 0.80 NPC1 (0.37) NPC1RAB9AMEN1KMT2ACA12

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-20120129811-A1 TRICYCLIC 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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 NPC1 3685/4885RAB9A 2419/4885MEN1 1344/4885

“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.