SCHEMBL876603

SCHEMBL876603

Cc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1C=O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
CYP1A2 P05177 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
PTGER4 P35408 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.36
HTT P42858 3/20 0.36
MGLL Q99685 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NR2F2 P24468 1/20 0.35

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
SCHEMBL2071589 0.85 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL3637019 0.83 CYP1A2 (1.00) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL9673792 0.80 SMN1; SMN2 (0.76) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL15057794 0.80 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL9673128 0.79 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL13243006 0.79 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL9672301 0.79 SMN1; SMN2 (0.74) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL3613853 0.78 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL13243011 0.78 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL14047646 0.78 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA

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 16 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-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
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-9000024-B2 Pharmaceutical composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-07 US 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-20140155452-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-05 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
US-20130237578-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 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
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 SMN1; SMN2 2710/4885CYP1A2 22/4885CYP2C9 23/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 SMN1; SMN2 2710/4885CYP1A2 22/4885CYP2C9 23/4885

“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.