SCHEMBL2649465

SCHEMBL2649465

CCOC(=O)CN1CCN(c2cccc(-n3cnc4cc(-c5ccoc5)ccc43)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 5/20 0.38
BACE1 P56817 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.38
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL2648039 0.92 KDR (0.40) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2650199 0.90 HPGD (0.38) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2652763 0.89 RIPK1 (0.39) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2652084 0.89 ALDH1A1 (0.44) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2650775 0.87 HPGD (0.41) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL6856564 0.87 ATM (0.38) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2649181 0.85 HPGD (0.38) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2648594 0.84 HPGD (0.49) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2647976 0.84 HPGD (0.42) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL5781363 0.83 FGFR1 (0.54) HPGDALDH1A1NPC1GLARAB9A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934281-B1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2010-01-06 EP claimed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US claimed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US claimed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US claimed
JP-2003502405-A 2003-01-21 JP claimed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP claimed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US claimed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO claimed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP claimed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO claimed
EP-0934281-B1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH AS (DK) 2010-01-06 EP disclosed
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO disclosed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 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 (3 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-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions GABRA1, GABRA2, GABRA4 HPGD 1806/4885ALDH1A1 192/4885NPC1 773/4885
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 HPGD 1452/4885ALDH1A1 977/4885NPC1 3894/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 HPGD 1290/4885ALDH1A1 1345/4885NPC1 3859/4885

“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.