SCHEMBL10140724

SCHEMBL10140724

[C-]#[N+]c1ccc2[nH]c(-c3c(OC)c(-c4ccc(-c5ccccc5)cc4)nn3C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
GAPDH P04406 1/20 0.39
PDPK1 O15530 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
P2RY6 Q15077 1/20 0.37
TP53 P04637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL10140739 0.91 KDM4E (0.40) MAPTKDM4EPDPK1SMN1; SMN2NPC1
SCHEMBL10140704 0.90 CA12 (0.37) CA12CA9MAPTKDM4EPDPK1
SCHEMBL10140720 0.86 PDPK1 (0.39) CA12CA9MAPTKDM4EKMT2A
SCHEMBL10140763 0.85 NPC1 (0.42) CA12CA9MAPTKDM4EKMT2A
SCHEMBL7978076 0.82 CHEK2 (0.43) CA12CA9MAPTKDM4EKMT2A
SCHEMBL10140093 0.81 TP53 (0.38) CA12CA9MAPTKDM4EKMT2A
SCHEMBL7982191 0.78 P2RY6 (0.51) CA12CA9MAPTKDM4ESMN1; SMN2
SCHEMBL7970762 0.77 AMY1A (0.44) CA12CA9MAPTKDM4EKMT2A
SCHEMBL10140741 0.77 KDM4E (0.42) MAPTKDM4EPDPK1SMN1; SMN2NPC1
SCHEMBL10139799 0.77 NPC1 (0.65) CA12CA9MAPTKDM4EKMT2A

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 332/4885MAPT 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.