SCHEMBL10140375

SCHEMBL10140375

Cc1ccc2nc(-c3n[nH]c(-c4cccc(Br)c4)c3O)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 2/20 0.48
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.48
F9 P00740 1/20 0.47
F10 P00742 1/20 0.47
F11 P03951 1/20 0.47
F7 P08709 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MMP2 P08253 1/20 0.44

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
SCHEMBL7961754 0.89 ITK (0.54) KDM4EALDH1A1F9F10F11
SCHEMBL10139794 0.88 F9 (0.56) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL16258965 0.86 PDPK1 (0.56) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL7973859 0.86 NPC1 (0.53) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL10139807 0.83 F9 (0.56) F9F10F11F7HDAC3
SCHEMBL10172578 0.83 F9 (0.56) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL7975272 0.76 ITK (0.63) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL20307758 0.75 NPC1 (0.52) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL10139790 0.74 F9 (0.56) KDM4EALDH1A1HPGDF9F10
SCHEMBL7976096 0.73 CHEK2 (0.54) NPC1RAB9AMAPTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 NPC1 1029/4885RAB9A 400/4885MAPT 4510/4885

“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.