SCHEMBL2652430

SCHEMBL2652430

CC(=O)c1ccc(Nc2cccc(-c3ncc(Cl)s3)c2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.45
AKR1C2 P52895 6/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 4/20 0.44
GFER P55789 2/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PRKCI P41743 1/20 0.43
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ERBB2 P04626 2/20 0.41

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
SCHEMBL27697339 0.84 ROCK1 (0.40) NPC1SMN1; SMN2POLBRAB9AGAA
SCHEMBL2652297 0.84 MAPT (0.48) AKR1C3AKR1C2NPC1SMN1; SMN2POLB
SCHEMBL2650071 0.82 GAA (0.49) AKR1C3AKR1C2NPC1SMN1; SMN2GAA
SCHEMBL27697342 0.80 ROCK1 (0.36) NPC1SMN1; SMN2POLBRAB9AGAA
SCHEMBL2647667 0.79 GAA (0.48) AKR1C3AKR1C2NPC1SMN1; SMN2RAB9A
SCHEMBL2643439 0.78 NPC1 (0.53) AKR1C3AKR1C2NPC1RAB9AGAA
SCHEMBL2648414 0.77 CNR1 (0.49) AKR1C3AKR1C2NPC1SMN1; SMN2POLB
SCHEMBL9071956 0.74 AKR1C3 (0.69) AKR1C3AKR1C2NPC1SMN1; SMN2GAA
SCHEMBL2655100 0.74 GAA (0.46) AKR1C3AKR1C2NPC1SMN1; SMN2GAA
SCHEMBL7989959 0.73 GAA (0.77) AKR1C3AKR1C2NPC1SMN1; SMN2RAB9A

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-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
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 AKR1C3 947/4885AKR1C2 906/4885NPC1 1618/4885

“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.