SCHEMBL14967238

SCHEMBL14967238

Cc1cc(C)c(CNC(=O)c2cnc(Oc3ccccc3)nc2)c(O)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.44
MAPK14 Q16539 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
HPGDS O60760 4/20 0.41
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.39
MMP13 P45452 1/20 0.39

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 0.87 MAPK14 (0.56) KLKB1MAPK14ALDH1A1SMN1; SMN2MEN1
SCHEMBL14966820 0.83 SMN1; SMN2 (0.47) KLKB1MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14966509 0.82 KLKB1 (0.50) KLKB1MAPK14ALDH1A1CYP3A4
SCHEMBL14966544 0.81 KLKB1 (0.41) KLKB1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL14966545 0.81 KLKB1 (0.41) KLKB1MAPK14ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14966854 0.81 LMNA (0.61) KLKB1MAPK14ALDH1A1SMN1; SMN2MEN1
SCHEMBL14972101 0.80 EZH2 (0.55)
SCHEMBL14966646 0.80 KLKB1 (0.46) KLKB1MAPK14SMN1; SMN2LMNACYP3A4
SCHEMBL14967126 0.79 LMNA (0.46) KLKB1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL14966659 0.79 LMNA (0.48) KLKB1MAPK14SMN1; SMN2MEN1KMT2A

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 KLKB1 4203/4885MAPK14 4092/4885ALDH1A1 1213/4885

“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.