SCHEMBL5594283

SCHEMBL5594283

Cc1ccc(C(N)=Nc2ccc(S(C)(=O)=O)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
PTGS2 P35354 5/20 0.46
CCR9 P51686 1/20 0.43
GRIN2B Q13224 1/20 0.41
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAP4K4 O95819 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MEN1 O00255 1/20 0.36

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
SCHEMBL5594224 0.83 NNMT (0.51) PTGS2GRIN2BPTGS1MAP4K4NOS3
SCHEMBL4854998 0.81 CYP2D6 (0.60) PTGS2GRIN2BCYP2D6HIF1ANOS3
SCHEMBL5595201 0.81 CYP2D6 (0.60) PTGS2GRIN2BCYP2D6HIF1ANOS3
SCHEMBL5594822 0.81 MEN1 (0.50) PTGS2GRIN2BPTGS1MEN1ALDH1A1
SCHEMBL5593941 0.77 PTGS2 (0.51) PTGS2GRIN2BCYP2D6HIF1ANOS3
SCHEMBL5594052 0.77 PTGS2 (0.51) PTGS2GRIN2BCYP2D6HIF1ANOS3
SCHEMBL5698495 0.77 PTGS2 (0.51) PTGS2GRIN2BNOS3NOS1
SCHEMBL5594422 0.77 MAPT (0.46) PTGS2CCR9GRIN2BPTGS1CYP2D6
SCHEMBL5594336 0.77 PTGS2 (0.51) PTGS2GRIN2BNOS3NOS1
SCHEMBL5593964 0.76 MEN1 (0.61) PTGS2GRIN2BCYP2D6HIF1ANOS3

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 9 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
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 ADRA2A 384/4885ADRA2B 313/4885ADRA2C 374/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR ADRA2A 388/4885ADRA2B 386/4885ADRA2C 443/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 ADRA2A 408/4885ADRA2B 315/4885ADRA2C 419/4885

“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.