SCHEMBL1616540

SCHEMBL1616540

COc1ccc(Cl)cc1-c1cccc(-n2cnc3cc([C@H](C)NC(C)=O)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.44
CTSA P10619 3/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 6/20 0.40
FGFR1 P11362 4/20 0.40
SRC P12931 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BRAF P15056 1/20 0.39
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL1617115 1.00 ADRA2B (0.44) ADRA2BCTSALMNATP53MAPT
SCHEMBL1616915 0.90 FGFR1 (0.44) ADRA2BCTSALMNATP53MAPT
SCHEMBL1616567 0.90 ADRA2B (0.48) ADRA2BLMNATP53MAPTNPC1
SCHEMBL1615890 0.90 ADRA2B (0.48) ADRA2BLMNATP53MAPTNPC1
SCHEMBL1761634 0.87 FGFR1 (0.45) CTSALMNATP53MAPTHPGD
SCHEMBL1761698 0.87 FGFR1 (0.45) CTSALMNATP53MAPTHPGD
SCHEMBL1616284 0.85 FGFR1 (0.45) CTSALMNATP53MAPTHPGD
SCHEMBL1761681 0.83 FGFR1 (0.56) HPGDFGFR1ALDH1A1
SCHEMBL1616093 0.82 NPC1 (0.53) LMNANPC1RAB9AHPGDFGFR1
SCHEMBL1616776 0.82 NPC1 (0.53) LMNANPC1RAB9AHPGDFGFR1

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
EP-1996556-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-11-18 EP claimed
EP-1996556-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-12-03 EP claimed
WO-2007065864-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-06-14 WO claimed
US-7923464-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-04-12 US disclosed
EP-1996556-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-11-18 EP disclosed
US-20090048321-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA-Alpha Receptor Complex ANIONA APS (DK) 2009-02-19 US disclosed
EP-1996556-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-12-03 EP disclosed
WO-2007065864-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-06-14 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-20090048321-A1 Benzimidazole Derivatives and Their Use for Modulating the GABA-Alpha Receptor Complex GABRB1, GABRB2, GABRB3 ADRA2B 84/4885CTSA 2746/4885LMNA 4097/4885

“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.