SCHEMBL1360652

SCHEMBL1360652

COc1ccccc1B(O)OB(OB(O)c1ccccc1OC)c1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.56
ORAI1 Q96D31 1/20 0.55
ORAI2 Q96SN7 1/20 0.55
ORAI3 Q9BRQ5 1/20 0.55
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.37
SCN8A Q9UQD0 1/20 0.35
HTR2A P28223 3/20 0.35
HTR7 P34969 2/20 0.35
ALDH1A1 P00352 4/20 0.33
PTGS1 P23219 2/20 0.33
ADRA2B P18089 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1360650 0.80 ENPP2 (0.80) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL19147471 0.78 ENPP2 (0.75) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL7930396 0.76 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL7772580 0.75 KDM4E (0.50) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL23807 0.73 ENPP2 (1.00) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL29466484 0.73 ENPP2 (1.00) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL27990078 0.73 ENPP2 (0.67) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL2316118 0.73 ENPP2 (0.67) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL27993942 0.73 ENPP2 (0.67) ENPP2ORAI1ORAI2ORAI3CA1
SCHEMBL14703738 0.72 ENPP2 (0.46) ENPP2ORAI1ORAI2ORAI3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
EP-2245016-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2010-11-03 EP disclosed
WO-2009092566-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 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-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, AADAT, PSEN2 ENPP2 3569/4885ORAI1 4532/4885ORAI2 4719/4885

“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.