SCHEMBL2396875

SCHEMBL2396875

COC(=O)c1ccc(-c2cnc[nH]c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.49
CAMKK2 Q96RR4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.47
EGFR P00533 1/20 0.47
SLC2A1 P11166 1/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
TNKS O95271 1/20 0.44
IDO1 P14902 1/20 0.42
SETD7 Q8WTS6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 1/20 0.42
PTPN1 P18031 2/20 0.42

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
SCHEMBL12263263 0.81 MKNK1 (0.47) SGK1CAMKK2KDM4EALDH1A1
SCHEMBL2396369 0.76 KDM4E (0.51) SGK1CAMKK2KDM4EALDH1A1MAPK1
SCHEMBL21261147 0.75 EGFR (0.62) KDM4EALDH1A1EGFRSLC2A1CA1
SCHEMBL19387238 0.75 CA1 (0.70) KDM4EALDH1A1EGFRCA1CA2
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.75 CA1 (0.70) KDM4EALDH1A1EGFRCA1CA2
SCHEMBL12263260 0.73 ALDH1A1 (0.48) KDM4EALDH1A1MAPK1EGFRSLC2A1
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.73 CA1 (0.67) KDM4EALDH1A1EGFRCA1CA2
SCHEMBL15999111 0.73 SLC2A1 (0.61) KDM4EALDH1A1EGFRSLC2A1CA1
SCHEMBL10194200 0.73 MEN1 (0.44) KDM4EALDH1A1CA1CA2CA12
SCHEMBL17981447 0.73 CA1 (0.53) KDM4EALDH1A1MAPK1EGFRSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
CN-101304969-A Benzene derivative or salt thereof ASTELLAS PHARMA INC (JP) 2008-11-12 CN disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 EP disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 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-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF F12, F2, SERPINC1 SGK1 4362/4885CAMKK2 3842/4885KDM4E 990/4885

“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.