SCHEMBL5594064

SCHEMBL5594064

CS(=O)(=O)c1ccc(N=C(N)c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
NOS3 P29474 2/20 0.49
NOS1 P29475 2/20 0.49
NOS2 P35228 2/20 0.49
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PTGS2 P35354 3/20 0.43
PKM P14618 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
PTGS1 P23219 1/20 0.43
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5594310 0.81 PLAU (0.41) KDM4EALDH1A1NOS3NOS1NOS2
SCHEMBL4862366 0.80 NPC1 (0.57) KDM4EALDH1A1KMT2ANOS3NOS1
SCHEMBL5594294 0.79 P2RX7 (0.41) ALDH1A1KMT2ANOS3NOS1NOS2
SCHEMBL5594753 0.79 P2RX7 (0.43) ALDH1A1NOS3NOS1NOS2CYP3A4
SCHEMBL8886474 0.79 PTGS2 (0.40) NOS3NOS1NOS2PTGS2PTGS1
SCHEMBL5593964 0.77 MEN1 (0.61) KMT2ANOS3NOS1NOS2PTGS2
SCHEMBL4854739 0.77 NOS3 (0.55) KDM4EALDH1A1KMT2ANOS3NOS1
SCHEMBL4860972 0.77 NOS1 (0.58) KMT2ANOS3NOS1NOS2LMNA
SCHEMBL4855895 0.77 RAB9A (0.61) KDM4EALDH1A1KMT2ANOS3NOS1
SCHEMBL5594422 0.75 MAPT (0.46) ALDH1A1KMT2ANOS3NOS1NOS2

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 KDM4E 2382/4885ALDH1A1 2389/4885KMT2A 2915/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR KDM4E 2628/4885ALDH1A1 2050/4885KMT2A 3035/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 KDM4E 2431/4885ALDH1A1 2392/4885KMT2A 3039/4885

“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.