SCHEMBL2654544

SCHEMBL2654544

O=CNc1cccc(-c2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
CYP2A6 P11509 3/20 0.50
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MEN1 O00255 1/20 0.50
PSIP1 O75475 1/20 0.50
AXL P30530 1/20 0.50
ERN1 O75460 3/20 0.49
KMO O15229 1/20 0.49
EPHX2 P34913 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
FLT3 P36888 1/20 0.45
CYP17A1 P05093 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP19A1 P11511 1/20 0.45
ABL1 P00519 3/20 0.42

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
SCHEMBL23969769 0.87 ERN1 (0.50) CNR1CYP2A6MKNK1MKNK2ALDH1A1
SCHEMBL11194081 0.83 CNR1 (0.50) CNR1ALDH1A1ERN1PRMT6CYP17A1
SCHEMBL28214132 0.82 ALDH1A1 (0.56) CNR1ALDH1A1MEN1LIMK1
SCHEMBL196727 0.80
SCHEMBL20040879 0.79 KDR (0.64) CYP2A6ALDH1A1CYP1A2CYP3A4MEN1
Hydrochloric Acid SCHEMBL26619691 0.78 GAA (0.53) ALDH1A1MEN1
SCHEMBL8967589 0.78 ALDH1A1 (0.64) CNR1ALDH1A1MEN1LIMK1
Hydrochloric Acid SCHEMBL28069204 0.78 GAA (0.53) ALDH1A1MEN1
SCHEMBL2650388 0.77 EPHX2 (0.58) CNR1CYP2A6MKNK1MKNK2ALDH1A1
SCHEMBL30098400 0.77 EPHX2 (0.58) CNR1CYP2A6MKNK1MKNK2ALDH1A1

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 8 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
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 CNR1 45/4885CYP2A6 412/4885MKNK1 2178/4885

“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.