SCHEMBL16403241

SCHEMBL16403241

Cc1[nH][nH]c(=O)c1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
CASP3 P42574 2/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
RPS6KA2 Q15349 1/20 0.41
PABPC1 P11940 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL2087913 0.75 TSHR (0.55) MAPTRECQLSMN1; SMN2TSHRCASP3
SCHEMBL2807993 0.72 TSHR (0.56) MAPTRECQLSMN1; SMN2TSHRCASP3
SCHEMBL7894073 0.72 TSHR (0.59) MAPTRECQLSMN1; SMN2TSHRCASP3
SCHEMBL10754225 0.71 CASP3 (0.56) MAPTRECQLCASP3HTTALDH1A1
SCHEMBL18668961 0.69 CASP3 (0.53) CASP3ALDH1A1MEN1PKMKMT2A
SCHEMBL29820192 0.69 CASP3 (0.65) MAPTCASP3HPGDHTTRPS6KA2
SCHEMBL8737445 0.69 CASP3 (0.65) MAPTCASP3HPGDHTTRPS6KA2
SCHEMBL17151755 0.69 HPGD (0.49) MAPTRECQLSMN1; SMN2TSHRCASP3
SCHEMBL18668934 0.68 CA12 (0.55) TSHRCASP3ALDH1A1MEN1PKM
SCHEMBL10304923 0.68 PTGS1 (0.65) MAPTRECQLTSHRCASP3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150764-B2 Substituted benzene compounds Epizyme, Inc. (US) 2018-12-11 US disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 EP disclosed
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-07-07 US disclosed
EP-3022184-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-05-25 EP disclosed
WO-2015010049-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2015-01-22 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-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL MAPT 4181/4885RECQL 1050/4885SMN1; SMN2 2744/4885
US-10150764-B2 Substituted benzene compounds CYP1B1, TP53, VHL MAPT 4181/4885RECQL 1050/4885SMN1; SMN2 2744/4885

“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.