SCHEMBL16486267

SCHEMBL16486267

CNc1cc(C)[nH]c(=O)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
GAA P10253 5/20 0.54
GLA P06280 4/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 2/20 0.51
ATM Q13315 4/20 0.48
HAVCR2 Q8TDQ0 1/20 0.41
UPP1 Q16831 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EZH2 Q15910 1/20 0.36

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
SCHEMBL2592915 0.81 KDM4E (0.52) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL1694465 0.77 KDM4E (0.62) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL15647458 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL2587156 0.74 KDM4E (0.57) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL2593981 0.74 KDM4E (0.60) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL2587537 0.73 KDM4E (0.71) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL13277489 0.71 KDM4E (0.54) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL21489613 0.71 KDM4E (0.59) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL21419369 0.71 KDM4E (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL10747601 0.70 KDM4E (0.66) KDM4EALDH1A1HPGDGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969716-B2 Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969716-B2 Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969716-B2 Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20160185757-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-30 US disclosed
US-20160185757-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-30 US disclosed
US-20160185757-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-30 US disclosed
EP-3033334-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2016-06-22 EP disclosed
WO-2015023915-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-02-19 WO disclosed
WO-2015023915-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-02-19 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-20160185757-A1 INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF INMT, HNMT, NNMT KDM4E 106/4885ALDH1A1 493/4885HPGD 255/4885

“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.