SCHEMBL10140739

SCHEMBL10140739

[C-]#[N+]c1ccc2[nH]c(-c3c(OC)c(-c4ccc(-c5cccnc5)cc4)nn3C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KIT P10721 8/20 0.40
GUSB P08236 1/20 0.39
LDHA P00338 1/20 0.39
EPHX2 P34913 1/20 0.39
HPSE Q9Y251 1/20 0.38
DGAT1 O75907 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HTT P42858 1/20 0.36
CYP11B1 P15538 1/20 0.36
DHODH Q02127 1/20 0.35
WNT1 P04628 1/20 0.35

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 0.91 CA12 (0.40) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL10140741 0.87 KDM4E (0.42) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL10140704 0.85 CA12 (0.37) KDM4EMAPTNPC1ALDH1A1RAB9A
SCHEMBL7975522 0.84 KIT (0.44) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL10140763 0.82 NPC1 (0.42) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL10140720 0.77 PDPK1 (0.39) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL10140093 0.75 TP53 (0.38) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL7978076 0.74 CHEK2 (0.43) KDM4EMAPTNPC1ALDH1A1HPGD
SCHEMBL10140703 0.71 CA12 (0.39) KDM4EMAPTNPC1ALDH1A1RAB9A
SCHEMBL7982191 0.71 P2RY6 (0.51) KDM4EMAPTNPC1ALDH1A1HPGD

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 KDM4E 1387/4885MAPT 4510/4885NPC1 1029/4885

“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.