SCHEMBL16344799

SCHEMBL16344799

Cc1cc(CN)c(C)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.41
PARP1 P09874 1/20 0.38
GAA P10253 4/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CA1 P00915 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
TYMP P19971 1/20 0.34

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
SCHEMBL14917611 0.83 GRIN2D (0.46) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL17734330 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL2594097 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10PARP1
Hydrochloric Acid SCHEMBL2591197 0.75 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL20160825 0.72 HMBS (0.42) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL1694684 0.72 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL14760449 0.72 KMT2A (0.48) KDM4EALDH1A1GAAPKML3MBTL1
Hydrochloric Acid SCHEMBL5010692 0.71 HMBS (0.40) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL1695218 0.71 MAPK1 (0.46) KDM4EALDH1A1PARP1GAAMAPK1
Hydrochloric Acid SCHEMBL13280706 0.71 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
EP-2812001-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-11-17 US disclosed
US-9371331-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-09-17 US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US 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 (4 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-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KDM4E 76/4885ALDH1A1 1213/4885HPGD 1295/4885
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KDM4E 76/4885ALDH1A1 1213/4885HPGD 1295/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KDM4E 76/4885ALDH1A1 1213/4885HPGD 1295/4885
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KDM4E 76/4885ALDH1A1 1213/4885HPGD 1295/4885

“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.