SCHEMBL2652840

SCHEMBL2652840

c1ccc(CNCc2ccc3c(c2)ncn3-c2cccc(-c3nccs3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 4/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL2652282 0.90 HPGD (0.39) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL2652244 0.88 ADRB2 (0.52) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL2651938 0.87 ALDH1A1 (0.39) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL2651323 0.87 PDPK1 (0.43) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL2652183 0.84 LOXL2 (0.52) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL2655366 0.84 PDPK1 (0.40) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL2668090 0.83 NPC1 (0.43) RAB9AHPGDSMN1; SMN2TDP1NPC1
SCHEMBL2652257 0.82 FGFR1 (0.41) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL2652101 0.82 GABRA1 (0.40) ALDH1A1RAB9AKDM4EMAPTHPGD
SCHEMBL2657102 0.82 FFAR1 (0.41) ALDH1A1KDM4EMAPTHPGDTDP1

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 12 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 claimed
EP-1877052-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-07-22 EP claimed
US-20090036493-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA Alpha Receptor Complex ANIONA APS (DK) 2009-02-05 US claimed
CN-101141958-A Benzimidazole derivatives and their use for modulating GABAAUse of receptor complexes NEUROSEARCH AS (DK) 2008-03-12 CN claimed
EP-1877052-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-16 EP claimed
WO-2006108800-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-19 WO claimed
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
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

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 ALDH1A1 365/4885RAB9A 2444/4885KDM4E 1799/4885

“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.