SCHEMBL6176782

SCHEMBL6176782

O=C(Cl)OC(Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.44
SRC P12931 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 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
SCHEMBL6702874 0.81 CES2 (0.50) CES2CES1CYP2D6KMT2ASRC
SCHEMBL777870 0.79 ALDH1A1 (0.55) CES2CES1CYP2D6KMT2ASRC
SCHEMBL114464 0.79 CYP2D6 (0.48) CES2CES1CYP2D6KMT2ASRC
SCHEMBL3292508 0.78 ESR1 (0.53) CES2CES1CYP2D6KMT2ASRC
SCHEMBL9860357 0.78 HCAR2 (0.56) CES2CES1CYP2D6KMT2ASRC
Potassium Ion SCHEMBL27618230 0.78 CES2 (0.47) CES2CES1CYP2D6KMT2ASRC
SCHEMBL4216010 0.78 TSHR (0.57) CES2CES1KMT2ALMNAMAPK1
SCHEMBL9860354 0.78 HCAR2 (0.56) CES2CES1CYP2D6KMT2ASRC
SCHEMBL825537 0.77 CYP2D6 (0.48) CES2CES1CYP2D6KMT2ASRC
SCHEMBL28068764 0.76 KMT2A (0.46) CES2CES1CYP2D6KMT2ASRC

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-1607385-A1 Intermediates for the synthesis of benzimidazole compounds and process for the preparation thereof Sankyo Company Limited (JP) 2005-12-21 EP disclosed
US-6753347-B2 CONDENSATION OF AMINE DERIVATIVE WITH CARBOXYLIC ACID DERIVATIVES TO AFFORD INTERMEDIATE COMPOUND, FOLLOWED BY CYCLIZATION OF INTERMEDIATE COMPOUND IN PRESENCE OF ACID; HYOPOGLYCEMIC ACTION SANKYO COMPANY, LIMITED (JP) 2004-06-22 US disclosed
US-20030199580-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof SANKYO COMPANY, LIMITED (JP) 2003-10-23 US disclosed
US-6525220-B2 Having hypoglycemic action SANKYO COMPANY, LIMITED (JP) 2003-02-25 US disclosed
US-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof SANKYO COMPANY, LIMITED (JP) 2003-01-09 US disclosed
EP-1191019-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZIMIDAZOLE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Sankyo Company, Limited (JP) 2002-03-27 EP 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-20030008907-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof H1-4, H1-3, GCK CES2 3620/4885CES1 726/4885CYP2D6 175/4885
US-20030199580-A1 Intermediates for the synthesis of benzimidazole derivatives and a process for the preparation thereof H1-4, H1-3, GCK CES2 3620/4885CES1 726/4885CYP2D6 175/4885

“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.