SCHEMBL7971532

SCHEMBL7971532

CC(=O)Nc1ccc(-c2nn(C)c(-c3nc4ccc(CN)cc4[nH]3)c2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
KDM4E B2RXH2 9/20 0.50
HPGD P15428 6/20 0.50
TP53 P04637 6/20 0.50
HSD17B10 Q99714 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 5/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
HPSE Q9Y251 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
PKM P14618 1/20 0.44
KDR P35968 1/20 0.44
BAZ1A Q9NRL2 1/20 0.43
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
KLK7 P49862 1/20 0.42

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
SCHEMBL10140109 0.93 SMN1; SMN2 (0.44) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL16258911 0.91 BAZ1A (0.43) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL7970550 0.86 F9 (0.46) KDREGFR
SCHEMBL7969006 0.85 NPBWR1 (0.42)
SCHEMBL7971481 0.84 HIF1A (0.46) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL7969075 0.84 PTGDR2 (0.44) MMP2MMP9MMP8MMP13
SCHEMBL10139913 0.84 F9 (0.43) ALDH1A1KDM4EHPGDTP53HSD17B10
SCHEMBL7959240 0.84 NPC1 (0.44) ALDH1A1KDM4EHPGDRAB9AGAA
SCHEMBL7979892 0.83 HPSE (0.47) HPSEMMP2MMP9MMP8MMP13
SCHEMBL7966356 0.82 CHEK2 (0.55)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
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
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO 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 ALDH1A1 1022/4885KDM4E 1387/4885HPGD 340/4885

“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.