SCHEMBL14967221

SCHEMBL14967221

Cc1cc(C)c(CNC(=O)c2ccc(CNc3ccccc3)cc2)c(O)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.53
VCP P55072 1/20 0.47
SYK P43405 1/20 0.47
HDAC1 Q13547 5/20 0.46
NR1H4 Q96RI1 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
PPARG P37231 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KLKB1 P03952 2/20 0.43
NAMPT P43490 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
SCHEMBL14966781 0.87 RAB9A (0.47) HDAC1NR1H4PPARGHDAC6EPHX2
SCHEMBL14966808 0.87 KLKB1 (0.51) HDAC1NR1H4HDAC6ALDH1A1HPGD
SCHEMBL14966854 0.83 LMNA (0.61) HDAC1ALDH1A1KLKB1
SCHEMBL14967422 0.82 MAPK14 (0.56) ALDH1A1HPGDKLKB1
SCHEMBL14969096 0.82 KMT2A (0.53) ALDH1A1
SCHEMBL14966578 0.82 HDAC1 (0.47) HDAC1NR1H4HDAC3HDAC2NCOR2
SCHEMBL15176489 0.82 KDM4E (0.41) ALDH1A1HPGD
SCHEMBL14966659 0.81 LMNA (0.48) PPARGHPGDKLKB1
SCHEMBL14966734 0.81 KLKB1 (0.52) ALDH1A1HPGDKLKB1NAMPT
SCHEMBL14967335 0.81 KLKB1 (0.48) ALDH1A1HPGDKLKB1

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 SCD 891/4885VCP 3485/4885SYK 3232/4885

“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.