SCHEMBL14966892

SCHEMBL14966892

COc1nc(C)cc(C(F)(F)F)c1CNC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.53
EPHX2 P34913 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MMP13 P45452 3/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM5 P41594 1/20 0.43

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
SCHEMBL14967014 0.88 MAPK14 (0.55) MAPK14EPHX2SMN1; SMN2MMP13LMNA
SCHEMBL16116661 0.78 MAPK14 (0.55) MAPK14EPHX2SMN1; SMN2MMP13LMNA
SCHEMBL14966960 0.77 SMN1; SMN2 (0.54) MAPK14SMN1; SMN2MMP13LMNACYP3A4
SCHEMBL14966950 0.76 MAPK14 (0.55) MAPK14EPHX2SMN1; SMN2MMP13LMNA
SCHEMBL14967422 0.76 MAPK14 (0.56) MAPK14SMN1; SMN2MMP13LMNACYP3A4
SCHEMBL14966690 0.74 MAPK14 (0.54) MAPK14SMN1; SMN2MMP13LMNACYP3A4
SCHEMBL14966964 0.73 MAPK14 (0.53) MAPK14EPHX2SMN1; SMN2MMP13LMNA
SCHEMBL14972199 0.71 MAPK14 (0.55) MAPK14EPHX2SMN1; SMN2MMP13LMNA
SCHEMBL14967435 0.70 MAPK14 (0.57) MAPK14EPHX2SMN1; SMN2MMP13LMNA
SCHEMBL31060682 0.70 MAPK14 (1.00) MAPK14EPHX2SMN1; SMN2MMP13LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 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 (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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 MAPK14 4092/4885EPHX2 574/4885SMN1; SMN2 3191/4885

“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.