SCHEMBL5594422

SCHEMBL5594422

CS(=O)(=O)c1ccc(N=C(N)c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
GAA P10253 1/20 0.46
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KMT2A Q03164 2/20 0.42
PLG P00747 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
CCR9 P51686 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP2 Q13822 1/20 0.39
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
QRFPR Q96P65 1/20 0.38

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
SCHEMBL5593964 0.84 MEN1 (0.61) GRIN2BNOS3NOS1NOS2KMT2A
SCHEMBL4854998 0.83 CYP2D6 (0.60) GRIN2BNOS3NOS1NOS2KMT2A
SCHEMBL5595201 0.83 CYP2D6 (0.60) GRIN2BNOS3NOS1NOS2KMT2A
SCHEMBL5594822 0.82 MEN1 (0.50) MAPTGRIN2BALDH1A1KMT2AMEN1
SCHEMBL5594336 0.81 PTGS2 (0.51) GRIN2BNOS3NOS1PTGS2
SCHEMBL5593941 0.81 PTGS2 (0.51) MAPTGAAGRIN2BALDH1A1NOS3
SCHEMBL5698495 0.81 PTGS2 (0.51) GRIN2BNOS3NOS1PTGS2
SCHEMBL5594052 0.81 PTGS2 (0.51) MAPTGAAGRIN2BALDH1A1NOS3
SCHEMBL5594042 0.81 AKR1C3 (0.50) MAPTGAAGRIN2BALDH1A1NOS3
SCHEMBL8557221 0.79 GRIN2B (0.46) GRIN2BNOS3NOS1NOS2KMT2A

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 MAPT 4718/4885GAA 4701/4885GRIN2B 2491/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR MAPT 4717/4885GAA 4608/4885GRIN2B 2781/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 MAPT 4677/4885GAA 4640/4885GRIN2B 2717/4885

“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.