SCHEMBL2651395

SCHEMBL2651395

CCOC(=O)c1ccc2c(c1)ncn2-c1cccc(N2CCN(C(C)=O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 16/20 0.53
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 1/20 0.52
GLA P06280 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FGFR1 P11362 2/20 0.51
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2649744 0.90 HPGD (0.60) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2661194 0.90 FGFR1 (0.51) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2650466 0.87 FGFR1 (0.65) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2648585 0.87 HPGD (0.49) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2648594 0.87 HPGD (0.49) HPGDALDH1A1NPC1GLARAB9A
Hydrochloric Acid SCHEMBL7245719 0.86 SIRT2 (0.49) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL5781875 0.86 FGFR1 (0.62) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2648249 0.85 FGFR1 (0.53) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL2651150 0.84 HPGD (0.49) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL5780031 0.84 SYK (0.43) 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 12 patents. 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-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-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US 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
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
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 disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US 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
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 (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-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

“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.