SCHEMBL14966960

SCHEMBL14966960

COc1cc(C)nc(O)c1CNC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
MAPK14 Q16539 4/20 0.53
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
MMP13 P45452 2/20 0.51
LMNA P02545 2/20 0.50
CYP3A4 P08684 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50
APP P05067 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14967422 0.88 MAPK14 (0.56) SMN1; SMN2MAPK14MMP13LMNACYP3A4
SCHEMBL14966690 0.86 MAPK14 (0.54) SMN1; SMN2MAPK14PPARGPPARAMMP13
SCHEMBL14966964 0.85 MAPK14 (0.53) SMN1; SMN2MAPK14PPARGPPARAMMP13
SCHEMBL14967014 0.83 MAPK14 (0.55) SMN1; SMN2MAPK14PPARGPPARDPPARA
SCHEMBL14966645 0.81 ALDH1A1 (0.50) PPARGPPARDPPARAHTTHPGD
SCHEMBL14967435 0.80 MAPK14 (0.57) SMN1; SMN2MAPK14PPARGPPARAMMP13
SCHEMBL14966820 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MAPK14MMP13LMNACYP3A4
SCHEMBL14966646 0.78 KLKB1 (0.46) SMN1; SMN2MAPK14PPARGPPARDPPARA
SCHEMBL14972076 0.78 MAPK14 (0.53) SMN1; SMN2MAPK14PPARGPPARDPPARA
SCHEMBL14966892 0.77 MAPK14 (0.53) SMN1; SMN2MAPK14PPARGPPARDPPARA

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 7 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-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 SMN1; SMN2 3191/4885MAPK14 4092/4885PPARG 3383/4885

“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.