SCHEMBL876054

SCHEMBL876054

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
MAPT P10636 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.60
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
LMNA P02545 6/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ENPP3 O14638 1/20 0.42
ALPL P05186 1/20 0.42
ENPP1 P22413 1/20 0.42
XIAP P98170 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 1/20 0.40

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) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL877251 0.86 KDM4E (0.75) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL13242957 0.86 KDM4E (0.75) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL875983 0.86 MAPT (0.75) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL877203 0.85 MAPT (0.74) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL876428 0.84 KDM4E (0.72) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL876223 0.82 KDM4E (0.70) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL875886 0.82 KDM4E (0.70) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL9276529 0.81 KDM4E (0.68) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL876577 0.81 MAPT (0.68) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C9

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 1260/4885SMN1; SMN2 2710/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 KDM4E 3744/4885MAPT 1260/4885SMN1; SMN2 2710/4885

“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.