SCHEMBL10140359

SCHEMBL10140359

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FTO Q9C0B1 1/20 0.38
F9 P00740 2/20 0.38
F10 P00742 2/20 0.38
F11 P03951 2/20 0.38
F7 P08709 2/20 0.38
ESR1 P03372 2/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL10140444 0.93 KDM4E (0.39) PTGDR2ALDH1A1KDM4EMEN1TP53
SCHEMBL10140352 0.89 PTGDR2 (0.39) PTGDR2ALDH1A1KDM4EMEN1TP53
SCHEMBL10140443 0.86 PTGDR2 (0.39) PTGDR2ALDH1A1KDM4EMEN1TP53
SCHEMBL10140793 0.85 F9 (0.41) ALDH1A1KDM4EMEN1TP53CYP3A4
SCHEMBL10139853 0.82 PTGDR2 (0.53) PTGDR2F9F10F11F7
SCHEMBL7972587 0.82 CHEK2 (0.59)
SCHEMBL10140020 0.78 HIF1A (0.48) PTGDR2CYP3A4F9F10F11
SCHEMBL10140455 0.77 AMY1A (0.44) PTGDR2ALDH1A1KDM4EMEN1TP53
SCHEMBL10140068 0.77 F10 (0.41) PTGDR2ALDH1A1KDM4EMEN1TP53
SCHEMBL7973173 0.76 CHEK2 (0.49) ALDH1A1KDM4EHPGDKMT2AF9

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.