SCHEMBL13280243

SCHEMBL13280243

CN(c1cccc(C(=O)O)c1Br)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ABCC1 P33527 4/20 0.46
IDO1 P14902 1/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL13468097 0.85 ALDH1A1 (0.43) ALDH1A1ABCC1HPGDTSHRCYP1A2
SCHEMBL13279927 0.84 ALDH1A1 (0.47) ALDH1A1ABCC1IDO1HPGDTSHR
SCHEMBL28165649 0.79 ALDH1A1 (0.43) ALDH1A1ABCC1IDO1HPGDTSHR
SCHEMBL194970 0.78 ALDH1A1 (0.46) ALDH1A1ABCC1IDO1HPGDTSHR
SCHEMBL6881290 0.77 ABCC1 (0.50) ALDH1A1ABCC1IDO1HPGDTSHR
SCHEMBL31535243 0.75 ALDH1A1 (0.40) ALDH1A1ABCC1IDO1HPGDMAPT
SCHEMBL18829979 0.75 LMNA (0.47) ALDH1A1ABCC1IDO1HPGDTSHR
SCHEMBL18829835 0.73 LMNA (0.42) ALDH1A1ABCC1IDO1HPGDTSHR
SCHEMBL13280553 0.72 EZH2 (0.54) ALDH1A1ABCC1IDO1MAPTNPSR1
SCHEMBL5858670 0.72 ALDH1A1 (0.41) ALDH1A1ABCC1IDO1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-11-17 US disclosed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed
EP-2697198-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 EP disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 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-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL ALDH1A1 358/4885ABCC1 88/4885IDO1 511/4885

“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.