SCHEMBL3306674

SCHEMBL3306674

Cc1cc(CN[C]=O)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 1/20 0.44
PDE10A Q9Y233 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.38
EGFR P00533 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
GRIN1 Q05586 2/20 0.36

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
SCHEMBL22593293 0.76
SCHEMBL4156491 0.76
SCHEMBL18868074 0.75
SCHEMBL3750450 0.74 EPHX2 (0.44) EPHX2MAPTRECQLPDE10APOLB
SCHEMBL2755867 0.74 EPHX2 (0.58) EPHX2MAPTPDE10AALDH1A1EGFR
SCHEMBL2259618 0.73 EPHX2 (0.43) EPHX2MAPTRECQLPDE10APOLB
SCHEMBL2844130 0.73 EPHX2 (0.43) EPHX2MAPTRECQLPDE10APOLB
SCHEMBL50403 0.73 EPHX2 (0.57) EPHX2MAPTPDE10APOLBALDH1A1
SCHEMBL25270589 0.72 MAPT (0.45) EPHX2MAPTRECQLPDE10AALDH1A1
SCHEMBL104242 0.72 TRPM8 (0.50) EPHX2MAPTRECQLPDE10AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103221392-A Bridged spiro[2.4]heptane ester derivatives ACTELION PHARMACEUTICALS LTD 2013-07-24 CN disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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 (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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 EPHX2 3735/4885MAPT 4840/4885RECQL 4147/4885

“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.