SCHEMBL877251

SCHEMBL877251

Cc1nn(C)c(Oc2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.75
MAPT P10636 1/20 0.75
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER4 P35408 2/20 0.41
GPBAR1 Q8TDU6 2/20 0.41
DHODH Q02127 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN4A P35499 3/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL876883 0.88 MAPT (0.79) KDM4EMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL13242957 0.86 KDM4E (0.75) KDM4EMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL876054 0.86 KDM4E (1.00) KDM4EMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL875886 0.85 KDM4E (0.70) KDM4EMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL876223 0.85 KDM4E (0.70) KDM4EMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL876663 0.84 KDM4E (0.61) KDM4EMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL876600 0.81 KDM4E (0.57) KDM4EMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL26416585 0.81 KDM4E (0.64) KDM4EMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL876508 0.80 MAPT (0.67) KDM4EMAPTCYP1A2CYP2C19CYP3A4
SCHEMBL877203 0.80 MAPT (0.74) KDM4EMAPTCYP1A2CYP2C19CYP3A4

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
EP-2619182-B1 PHARMACEUTICAL COMPOSITION EISAI R&D MAN CO LTD (JP) 2016-11-09 EP disclosed
EP-3061751-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2016-08-31 EP disclosed
CN-103097358-B Pharmaceutical composition EISAI R&D MAN CO LTD 2015-04-08 CN disclosed
US-9000024-B2 Pharmaceutical composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-07 US disclosed
US-20140155452-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-05 US disclosed
US-20130237578-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 US disclosed
EP-2619182-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2013-07-31 EP disclosed
CN-103097358-A Pharmaceutical composition EISAI R&D MAN CO LTD 2013-05-08 CN disclosed
WO-2012039972-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-29 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-20140155452-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 KDM4E 3744/4885MAPT 1260/4885CYP1A2 22/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 KDM4E 3744/4885MAPT 1260/4885CYP1A2 22/4885

“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.