Benzene

Benzene

SCHEMBL5594471

NS(=O)(=O)c1ccc(-c2nc(CO)cn2-c2ccc(Cl)cc2)cc1.c1ccccc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.75
PTGS1 P23219 5/20 0.63
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA9 Q16790 4/20 0.56
CA12 O43570 3/20 0.56
CA4 P22748 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
SCHEMBL5594143 0.98 PTGS2 (0.78) PTGS2PTGS1CA1CA2CA9
SCHEMBL5594522 0.98 PTGS2 (0.78) PTGS2PTGS1CA1CA2CA9
Benzene SCHEMBL5593890 0.88 PTGS2 (0.95) PTGS2PTGS1
SCHEMBL5594385 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5594123 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5594686 0.86 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA9
SCHEMBL5594575 0.86 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA9
SCHEMBL5594273 0.86 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5594021 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594584 0.86 PTGS2 (1.00) PTGS2PTGS1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220770-B2 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2007-05-22 US disclosed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 US disclosed
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2005-05-05 US disclosed
US-6613789-B2 Especially for treating arthritis, pain and fever G. D. SEARLE & CO. 2003-09-02 US disclosed
EP-0880504-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-04-02 EP disclosed
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2003-02-20 US disclosed
EP-0772600-B1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
EP-1193265-A2 A process for the preparation of 4-[2-(aryl or heterocyclo)-1H-imidazol-1-yl]benzenesulfonamides G.D. Searle & Co. (US) 2002-04-03 EP disclosed
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 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 (3 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-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation LTC4S, HRH4, LTB4R2 PTGS2 107/4885PTGS1 144/4885CA1 4149/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR PTGS2 98/4885PTGS1 117/4885CA1 4120/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 PTGS2 150/4885PTGS1 201/4885CA1 4234/4885

“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.