SCHEMBL5595313

SCHEMBL5595313

O=C(CBr)Cc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
HTR2A P28223 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SLC1A5 Q15758 1/20 0.51
CHRM1 P11229 1/20 0.48
MAPT P10636 1/20 0.47
CXCL8 P10145 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL872958 0.83 CXCL8 (0.67) PPARAHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL966658 0.83 PPARA (0.57) PPARAHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL8796728 0.82 CXCL8 (0.69) SLC6A4SLC6A2SLC6A3CHRM1CXCL8
Ammonia Solution, Strong SCHEMBL872909 0.82 CHRM1 (0.65) PPARAHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL2248000 0.79 HTR2A (0.60) PPARAHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL872911 0.79 PPARA (0.53) PPARAHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL27897489 0.78 SLC6A4 (0.67) PPARAHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL1146416 0.77 HTR2A (0.54) PPARAHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL5595315 0.76 LTA4H (0.50) PPARAALDH1A1KMT2APPARGLTA4H
SCHEMBL27483527 0.76 SLC6A4 (0.63) PPARAHTR2ASLC6A4SLC6A2SLC6A3

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 13 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
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 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
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO 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 PPARA 368/4885HTR2A 620/4885SLC6A4 1216/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR PPARA 318/4885HTR2A 726/4885SLC6A4 2088/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 PPARA 365/4885HTR2A 847/4885SLC6A4 1436/4885

“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.