SCHEMBL14966967

SCHEMBL14966967

CC(CC(N)=O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
EPHX1 P07099 2/20 0.45
ACHE P22303 1/20 0.44
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FFAR1 O14842 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL6223098 1.00 ALOX5 (0.51) ALOX5EPHX1ACHECYP1A2SMN1; SMN2
SCHEMBL988029 0.84 ACHE (0.47) ACHESMN1; SMN2MAPTMAPK1FFAR1
SCHEMBL15777745 0.82 FFAR1 (0.59) ALOX5ACHECYP1A2SMN1; SMN2KMT2A
SCHEMBL12883148 0.82 ACHE (0.65) ALOX5EPHX1ACHEFFAR1STAT3
SCHEMBL11324400 0.82 FFAR1 (0.59) ALOX5ACHECYP1A2SMN1; SMN2KMT2A
SCHEMBL15778234 0.82 FFAR1 (0.59) ALOX5ACHECYP1A2SMN1; SMN2KMT2A
SCHEMBL12883156 0.82 ACHE (0.65) ALOX5EPHX1ACHEFFAR1STAT3
SCHEMBL12820087 0.82 ACHE (0.65) ALOX5EPHX1ACHEFFAR1STAT3
SCHEMBL12883299 0.82 ACHE (0.46) EPHX1ACHECYP1A2SMN1; SMN2FFAR1
SCHEMBL23073708 0.81 ALOX5 (0.49) ALOX5EPHX1CYP1A2SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
EP-2780013-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075084-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075084-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 (2 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-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 ALOX5 1477/4885EPHX1 580/4885ACHE 725/4885
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 ALOX5 1477/4885EPHX1 580/4885ACHE 725/4885

“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.