SCHEMBL4136788

SCHEMBL4136788

O=C(ON1C(=O)CCC1=O)c1cccc2oc(=O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 5/20 0.42
▸ CYP3A4 P08684 2/20 0.37
▸ KCNA3 P22001 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA3 P07451 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33

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
SCHEMBL15842329 0.77 CYP2A6 (0.57) CYP2A6CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL9391593 0.76 KMT2A (0.48) CYP3A4ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL7945707 0.73 CYP2A6 (0.54) CYP2A6CYP3A4KCNA3ALOX15MCL1
SCHEMBL15842689 0.73 KDM4E (0.51) CYP2A6CYP3A4KCNA3ALDH1A1CA12
SCHEMBL30737187 0.73 PRNP (0.44) ALDH1A1MAPTKMT2AMEN1
SCHEMBL15842516 0.73 ALDH1A1 (0.52) CYP2A6KCNA3ALDH1A1L3MBTL1MAPT
SCHEMBL15842499 0.73 CYP2A6 (0.56) CYP2A6ALDH1A1MAPTGLATSHR
SCHEMBL9390856 0.73 PTPN1 (0.37) KMT2AMEN1
SCHEMBL30360765 0.73 CYP2A6 (0.50) CYP2A6CYP3A4KCNA3TSHRCA12
SCHEMBL25241136 0.72 ALDH1A1 (0.44) CYP3A4ALDH1A1L3MBTL1MAPTGLA

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
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 — — US disclosed
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 — — US disclosed
EP-1975162-B1 OXAZOLONE DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2012-08-15 — — EP disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 — — US disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 — — US disclosed
EP-1975162-A1 OXAZOLONE DERIVATIVE SEIKAGAKU CORPORATION (JP) 2008-10-01 — — EP disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 — — EP 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-20090131661-A1 Oxazolone Derivatives CTSK, CTSZ, CTSV CYP2A6 3396/4885CYP3A4 1245/4885KCNA3 2418/4885
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB CYP2A6 886/4885CYP3A4 478/4885KCNA3 807/4885

“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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