SCHEMBL2652277

SCHEMBL2652277

O=[N+]([O-])c1cccc(-c2ncc(Cl)s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.56
GAA P10253 2/20 0.56
SI P14410 2/20 0.56
MGAM2 Q2M2H8 2/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.47
IDO1 P14902 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.45
PSMB8 P28062 1/20 0.45
XDH P47989 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL10749428 0.78 MGAM (0.69) MGAMGAASIMGAM2PKM
SCHEMBL4873847 0.77 KMO (0.49) MGAMGAASIMGAM2PKM
SCHEMBL6792255 0.74 ALDH1A1 (0.51) MGAMGAASIMGAM2PKM
SCHEMBL2667905 0.73 MAP4K4 (0.49) GAAPKMRAB9AMAPTNPC1
SCHEMBL6738366 0.73 TSHR (0.76) MGAMGAASIMGAM2PKM
SCHEMBL2311878 0.73 MGAM (0.55) MGAMGAASIMGAM2PKM
SCHEMBL2082486 0.73 RAB9A (0.50) RAB9AMAPTNPC1ALDH1A1TDP1
SCHEMBL10339419 0.73 MGAM (0.58) MGAMGAASIMGAM2PKM
SCHEMBL30461135 0.73 RAB9A (0.69) MGAMGAASIMGAM2PKM
SCHEMBL30461136 0.73 RAB9A (0.69) MGAMGAASIMGAM2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851490-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-14 US disclosed
US-7851490-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-14 US disclosed
US-7851490-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2010-12-14 US disclosed
EP-1877052-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-07-22 EP disclosed
US-20090036493-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA Alpha Receptor Complex ANIONA APS (DK) 2009-02-05 US disclosed
US-20090036493-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA Alpha Receptor Complex ANIONA APS (DK) 2009-02-05 US disclosed
US-20090036493-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA Alpha Receptor Complex ANIONA APS (DK) 2009-02-05 US disclosed
CN-101141958-A Benzimidazole derivatives and their use for modulating GABAAUse of receptor complexes NEUROSEARCH AS (DK) 2008-03-12 CN disclosed
EP-1877052-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-16 EP disclosed
WO-2006108800-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-19 WO disclosed
WO-2006108800-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-19 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-20090036493-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA Alpha Receptor Complex GABRB2, GABRB1, GABRB3 MGAM 4385/4885GAA 739/4885SI 2204/4885

“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.