SCHEMBL17185709

SCHEMBL17185709

[CH2]c1oc2ccccc2c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ PGAM1 P18669 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ ADORA2A P29274 1/20 0.40
▸ TNKS O95271 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL25926428 0.76 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL10638809 0.76 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL11475587 0.76 KDM4E (0.52) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL15842754 0.74 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL28051569 0.73 ALDH1A1 (0.50) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL23435969 0.72 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL2095434 0.72 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL20305358 0.72 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL10687334 0.71 KDM4E (0.53) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL29206918 0.71 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 — — EP disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 — — EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 — — US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 — — US disclosed
EP-3131897-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 — — EP disclosed
EP-3131896-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 — — EP disclosed
US-20170027916-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 — — US disclosed
WO-2015160636-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 — — WO disclosed
WO-2015160634-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 — — 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 (2 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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI KDM4E 837/4885ALDH1A1 818/4885MAPT 3891/4885
US-20170027916-A1 FACTOR IXa INHIBITORS F9, F12, TFPI KDM4E 837/4885ALDH1A1 818/4885MAPT 3891/4885

“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.

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