SCHEMBL2649181

SCHEMBL2649181

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.38
KDR P35968 5/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 1/20 0.36
LMNA P02545 1/20 0.35
PRKAB2 O43741 1/20 0.35
ABL1 P00519 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
PRKAG1 P54619 1/20 0.35
SIK1 P57059 1/20 0.35
PRKAA1 Q13131 1/20 0.35
SIK2 Q9H0K1 1/20 0.35

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
SCHEMBL2652084 0.87 ALDH1A1 (0.44) HPGDKDRALDH1A1NPC1RAB9A
SCHEMBL2649465 0.85 HPGD (0.39) HPGDKDRALDH1A1NPC1RAB9A
SCHEMBL2648242 0.81 KDR (0.41) HPGDKDRALDH1A1NPC1RAB9A
SCHEMBL2648245 0.81 KDR (0.41) HPGDKDRALDH1A1NPC1RAB9A
SCHEMBL2648921 0.80 FGFR1 (0.42) HPGDKDRALDH1A1NPC1RAB9A
SCHEMBL2648039 0.79 KDR (0.40) HPGDKDRALDH1A1NPC1RAB9A
SCHEMBL2649859 0.79 HPGD (0.47) HPGDKDRSMN1; SMN2KMT2AFGFR1
SCHEMBL2647976 0.79 HPGD (0.42) HPGDKDRALDH1A1NPC1RAB9A
SCHEMBL2651587 0.79 SMN1; SMN2 (0.37) HPGDKDRALDH1A1NPC1RAB9A
SCHEMBL2650751 0.79 CYP1A2 (0.49) HPGDKDRALDH1A1KMT2ASLC2A1

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 1806/4885KDR 4463/4885ALDH1A1 192/4885

“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.