SCHEMBL4968417

SCHEMBL4968417

O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1F

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.71
ALDH1A1 P00352 5/20 0.70
GAA P10253 2/20 0.70
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
PKM P14618 3/20 0.54
VCAM1 P19320 1/20 0.54
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
POLB P06746 1/20 0.49
CA1 P00915 1/20 0.49
IL1RN P18510 1/20 0.49
KEAP1 Q14145 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49

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
SCHEMBL1891805 0.90 ALDH1A1 (0.72) FFAR4ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL10182996 0.87 ALDH1A1 (0.69) FFAR4ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL4901044 0.87 ALDH1A1 (0.73) FFAR4ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL10618991 0.83 FFAR4 (1.00) FFAR4ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL6570574 0.83 ALDH1A1 (0.72) FFAR4ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL17557158 0.83 FFAR4 (0.71) FFAR4ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9749511 0.83 FFAR4 (0.71) FFAR4ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL8026293 0.83 FFAR4 (0.71) FFAR4ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL4968283 0.83 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL5429681 0.81 SMN1; SMN2 (0.67) FFAR4ALDH1A1GAASMN1; SMN2MEN1

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
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
WO-2007091950-A1 BENZIMIDAZOLES AND IMIDAZOPYRIDINES USEFUL IN THE TREATMENT OF DISEASES OR DISORDERS ASSOCIATED WITH CANNABINOID RECEPTOR 2 (CB2) SUCH AS PAIN ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
EP-1670790-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005030762-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP disclosed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 FFAR4 1486/4885ALDH1A1 165/4885GAA 1933/4885
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof TBXA2R, CYP2C19, CYP3A43 FFAR4 1615/4885ALDH1A1 93/4885GAA 1729/4885

“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.