SCHEMBL10140704

SCHEMBL10140704

[C-]#[N+]c1ccc2[nH]c(-c3c(OC)c(-c4ccc(Br)cc4)nn3C)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.37
CA9 Q16790 4/20 0.37
CA1 P00915 2/20 0.37
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
AMY1A P0DUB6 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 2/20 0.33
RAB9A P51151 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CA2 P00918 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
PDPK1 O15530 2/20 0.32
HPSE Q9Y251 1/20 0.32

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
SCHEMBL10140724 0.90 CA12 (0.40) CA12CA9MAPTTP53AMY1A
SCHEMBL10140703 0.86 CA12 (0.39) CA12CA9CA1MAPTTP53
SCHEMBL10140739 0.85 KDM4E (0.40) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL10140763 0.85 NPC1 (0.42) CA12CA9MAPTTP53AMY1A
SCHEMBL7975506 0.82 SLC34A1 (0.39) CA12CA9CA1AMY1A
SCHEMBL10140720 0.76 PDPK1 (0.39) CA12CA9MAPTTP53SMN1; SMN2
SCHEMBL10140093 0.73 TP53 (0.38) CA12CA9MAPTTP53AMY1A
SCHEMBL7978076 0.72 CHEK2 (0.43) CA12CA9MAPTTP53SMN1; SMN2
SCHEMBL10140741 0.71 KDM4E (0.42) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL10140767 0.71 NPC1 (0.43) TP53AMY1ASMN1; SMN2KDM4ENPC1

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 CA12 1599/4885CA9 332/4885CA1 1475/4885

“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.