SCHEMBL1761873

SCHEMBL1761873

CC(C)OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.62
LMNA P02545 4/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 3/20 0.57
RAF1 P04049 1/20 0.57
HPGD P15428 1/20 0.57
GFER P55789 1/20 0.57
PAX8 Q06710 1/20 0.57
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL16004920 0.84 CA12 (0.64) VCAM1LMNAMAPTALDH1A1MAPK1
SCHEMBL11566829 0.84 CRHBP (0.60) VCAM1LMNAMAPTALDH1A1HPGD
SCHEMBL51755 0.83 LMNA (0.72) VCAM1LMNAMAPTALDH1A1MAPK1
SCHEMBL10541219 0.83 CA12 (0.50) VCAM1LMNAMAPTALDH1A1MAPK1
SCHEMBL10946461 0.82 CRHBP (0.73) LMNAMAPTALDH1A1HPGDCRHBP
SCHEMBL27770136 0.81 VCAM1 (0.70) VCAM1LMNAMAPTALDH1A1MAPK1
SCHEMBL10328475 0.81 VCAM1 (0.70) VCAM1LMNAMAPTALDH1A1MAPK1
SCHEMBL27287682 0.81 VCAM1 (0.54) VCAM1LMNAMAPTALDH1A1MAPK1
SCHEMBL6113956 0.81 PDK1 (0.69) VCAM1LMNAMAPTALDH1A1HPGD
SCHEMBL29950982 0.81 CRHBP (0.51) VCAM1LMNAMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288418-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2012-10-16 US disclosed
US-8288418-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2012-10-16 US disclosed
US-8288418-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2012-10-16 US disclosed
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US disclosed
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US disclosed
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US disclosed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 EP disclosed
EP-2319837-A1 Benzimidazole derivatives and their use for modulating the GABAa receptor complex NeuroSearch AS (DK) 2011-05-11 EP disclosed
US-7902230-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-03-08 US disclosed
US-7902230-B2 Benzimidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-03-08 US 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
CN-1089762-C Benzimidazole compounds and their use as GABAAUse of receptor complex modulators NEUROSEARCH AS (DK) 2002-08-28 CN 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
CN-1182425-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH AS (DK) 1998-05-20 CN 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
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US 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 (2 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 VCAM1 2973/4885LMNA 2208/4885MAPT 512/4885
US-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 VCAM1 3603/4885LMNA 4037/4885MAPT 1558/4885

“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.