SCHEMBL2653674

SCHEMBL2653674

O=[N+]([O-])c1cc(C2CC2)ccc1Nc1cccc(-c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.47
ALDH1A1 P00352 1/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PRKCA P17252 1/20 0.43
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
POLB P06746 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL2660507 0.85 DHODH (0.41) DHODHL3MBTL1POLB
SCHEMBL2659734 0.82 ALDH1A1 (0.48) ALDH1A1ABL1EGFRBCRSRC
SCHEMBL2654381 0.81 DHODH (0.47) DHODHABL1EGFRBCRSRC
SCHEMBL2665300 0.81 DHODH (0.47) DHODHABL1EGFRBCRSRC
SCHEMBL2656071 0.81 SYK (0.39) DHODHALDH1A1EGFRL3MBTL1POLB
SCHEMBL2654386 0.79 DHODH (0.39) DHODHL3MBTL1POLB
SCHEMBL2643637 0.79 HCAR3 (0.51) ALDH1A1ABCB1ABCC1NPC1
SCHEMBL2649533 0.79 ALDH1A1 (0.44) ALDH1A1ABL1EGFRBCRSRC
SCHEMBL8224805 0.74 ABCB1 (0.49) ABL1BCRSRCABCB1ABCC1
SCHEMBL6796955 0.74 ABCG2 (0.53) ALDH1A1ABL1EGFRBCRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
US-7335777-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2008-02-26 US disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
EP-1613312-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2008-02-20 EP disclosed
US-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex ANIONA APS (DK) 2006-07-06 US disclosed
EP-1613312-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA sb A /sb RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-01-11 EP disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 WO disclosed
WO-2004087137-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2004-10-14 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-20060148856-A1 Benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB2, GABRB1, GABRB3 DHODH 3475/4885ALDH1A1 312/4885ABL1 1960/4885

“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.