SCHEMBL10140352

SCHEMBL10140352

[C-]#[N+]c1ccc2nc(-c3c(C)c(-c4ccccc4)nn3Cc3ccccc3)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
FTO Q9C0B1 1/20 0.39
HIF1A Q16665 1/20 0.39
ESR1 P03372 2/20 0.38
PDE10A Q9Y233 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 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
SCHEMBL10140443 0.93 PTGDR2 (0.39) PTGDR2ALDH1A1KDM4ETP53HPGD
SCHEMBL10140359 0.89 PTGDR2 (0.39) PTGDR2ALDH1A1KDM4ETP53HPGD
SCHEMBL10140444 0.86 KDM4E (0.39) PTGDR2ALDH1A1KDM4ETP53HPGD
SCHEMBL10140793 0.77 F9 (0.41) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL10139853 0.71 PTGDR2 (0.53) PTGDR2HIF1A
SCHEMBL7972587 0.71 CHEK2 (0.59)
SCHEMBL10140455 0.69 AMY1A (0.44) PTGDR2ALDH1A1KDM4ETP53HPGD
SCHEMBL10140068 0.69 F10 (0.41) PTGDR2ALDH1A1KDM4ETP53HPGD
SCHEMBL10140020 0.69 HIF1A (0.48) PTGDR2CYP3A4HIF1ANPC1RAB9A
SCHEMBL7973173 0.69 CHEK2 (0.49) ALDH1A1KDM4EHPGDKMT2ANPC1

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 PTGDR2 3200/4885ALDH1A1 1022/4885KDM4E 1387/4885

“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.