SCHEMBL10140554

SCHEMBL10140554

COc1ccc(COc2c(C(=O)OCC(=O)c3ccccc3Cl)nn(Cc3ccc(OC)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 1/20 0.42
NPBWR1 P48145 1/20 0.41
MAPT P10636 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7973344 0.85 CYP19A1 (0.53) ALDH1A1KMT2ALMNAMAPTCASP3
SCHEMBL7977426 0.82 CNR1 (0.48) ALDH1A1LMNANPBWR1MAPTCNR1
SCHEMBL10140271 0.81 CNR1 (0.47) ALDH1A1KMT2AMEN1LMNANPBWR1
SCHEMBL20307720 0.77 CYP19A1 (0.63) ALDH1A1MAPTTDP1CYP19A1POLB
SCHEMBL16258926 0.70 CYP19A1 (0.60) ALDH1A1MAPTTDP1CYP19A1POLB
SCHEMBL10140278 0.69 SMN1; SMN2 (0.48) KMT2AMEN1NPBWR1CNR1CNR2
SCHEMBL10140272 0.68 MEN1 (0.48) KMT2AMEN1NPBWR1MAPTCNR1
SCHEMBL1847760 0.65 USP2 (0.70) ALDH1A1KMT2AMEN1MAPTCNR2
SCHEMBL8887875 0.65 MEN1 (0.51) KMT2AMEN1NPBWR1MAPTERCC5
SCHEMBL11254519 0.64 PTGDR2 (0.60) KMT2AMEN1SMN1; SMN2

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 4 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-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 ALDH1A1 1022/4885KMT2A 2422/4885MEN1 994/4885

“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.