SCHEMBL1438126

SCHEMBL1438126

Cc1c(I)ccc2ccc(=O)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.44
▸ CA9 Q16790 5/20 0.44
▸ CA1 P00915 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA13 Q8N1Q1 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE3B Q13370 3/20 0.32
▸ PDE3A Q14432 3/20 0.32

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
SCHEMBL12569582 0.79 CA12 (0.47) CA12CA9CA1CA3CA4
SCHEMBL2819163 0.76 CA12 (0.58) CA12CA9CA1CA3CA4
SCHEMBL14726207 0.76 KDM4E (0.56) CA12CA9CA1CA3CA4
SCHEMBL3140886 0.76 CA12 (0.58) CA12CA9CA1CA3CA4
Hydrochloric Acid SCHEMBL9431750 0.74 KDM4E (0.54) CA12CA9CA1CA3CA4
SCHEMBL19751458 0.73 CA12 (0.60) CA12CA9CA1CA3CA4
SCHEMBL12559639 0.72 CA9 (0.41) CA12CA9CA1CA3CA4
SCHEMBL6370054 0.72 CA12 (0.49) CA12CA9CA1CA3CA4
SCHEMBL19384952 0.72 — —
SCHEMBL3784446 0.69 CA12 (0.55) CA12CA9CA1CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 — — EP disclosed
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 — — EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 — — 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CA12 3156/4885CA9 624/4885CA1 3212/4885

“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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