SCHEMBL2643637

SCHEMBL2643637

CC(=O)c1ccc(Nc2cccc(-c3cccnc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.51
ABCB1 P08183 2/20 0.51
ABCC1 P33527 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ERBB2 P04626 1/20 0.47
PTK6 Q13882 1/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL8337772 0.92 MEN1 (0.49) ABCB1ABCC1MAPTAKR1C3AKR1C2
SCHEMBL2650633 0.90 HCAR3 (0.52) HCAR3ABCB1ABCC1MAPTHPGD
SCHEMBL8224805 0.86 ABCB1 (0.49) HCAR3ABCB1ABCC1MAPTHPGD
SCHEMBL2649499 0.85 HCAR3 (0.51) HCAR3ABCB1ABCC1MAPTHPGD
SCHEMBL2659734 0.82 ALDH1A1 (0.48) HCAR3ABCB1ABCC1MEN1KMT2A
SCHEMBL13515733 0.82 NPC1 (0.53) AKR1C3AKR1C2MEN1KMT2ANPC1
SCHEMBL2643439 0.82 NPC1 (0.53) MAPTHPGDAKR1C3AKR1C2MEN1
SCHEMBL2647819 0.82 HCAR3 (0.53) HCAR3ABCB1ABCC1MAPTHPGD
SCHEMBL2662950 0.80 ABCB1 (0.51) HCAR3ABCB1ABCC1MAPTHPGD
SCHEMBL2652297 0.80 MAPT (0.48) HCAR3ABCB1ABCC1MAPTHPGD

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 15 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 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
EP-1164134-A1 Benzimidazole compounds and their use as modulators of the GABA A receptor complex NEUROSEARCH A/S (DK) 2001-12-19 EP disclosed
EP-0821684-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2001-12-05 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
EP-0821682-B1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA-A RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2000-07-19 EP 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
US-5922724-A Benzimidazole compounds and their use as modulators of the GABA a receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
WO-1999029319-A2 CHEMICAL COMPOUNDS FOR USE AS ANXIOLYTIC AGENTS AND A METHOD FOR THE IDENTIFICATION OF ANXIOLYTIC COMPOUNDS NEUROSEARCH A/S (DK) 1999-06-17 WO 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
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO disclosed
EP-0821684-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A? RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1998-02-04 EP disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 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 HCAR3 424/4885ABCB1 205/4885ABCC1 659/4885

“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.