SCHEMBL14972913

SCHEMBL14972913

C(=C/c1ccc2cc[nH]c2c1)\c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.59
RELA Q04206 1/20 0.55
BACE1 P56817 1/20 0.54
PRKCQ Q04759 1/20 0.47
AHR P35869 4/20 0.47
TRPA1 O75762 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
ADK P55263 1/20 0.47
CMA1 P23946 1/20 0.46
TYR P14679 1/20 0.46
ENPP2 Q13822 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL14972914 1.00 CYP2A6 (0.59) CYP2A6RELABACE1PRKCQAHR
SCHEMBL14972929 0.85 CYP2A6 (0.59) CYP2A6RELABACE1PRKCQAHR
SCHEMBL14972926 0.85 CYP2A6 (0.59) CYP2A6RELABACE1PRKCQAHR
SCHEMBL707636 0.80 CYP2A6 (0.50) CYP2A6BACE1AHRTRPA1CA1
SCHEMBL707637 0.80 CYP2A6 (0.50) CYP2A6BACE1AHRTRPA1CA1
SCHEMBL8231405 0.79 CYP2A6 (0.61) CYP2A6BACE1AHRTRPA1CA1
SCHEMBL9605442 0.79 CYP2A6 (0.61) CYP2A6BACE1AHRTRPA1CA1
SCHEMBL15474783 0.78 MAPT (0.53) CYP2A6RELABACE1PRKCQKDM4E
SCHEMBL13467327 0.78 MAPT (0.53) CYP2A6RELABACE1PRKCQKDM4E
SCHEMBL7612883 0.77 BACE1 (0.65) CYP2A6BACE1CA1CA2CA4

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-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US disclosed
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US disclosed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US disclosed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US disclosed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US 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-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives FLNB, BRI3BP, CCNI CYP2A6 3194/4885RELA 966/4885BACE1 4679/4885
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives FLNB, BRI3BP, CCNI CYP2A6 3194/4885RELA 966/4885BACE1 4679/4885

“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.