SCHEMBL5594068

SCHEMBL5594068

C[CH]SCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.45
▸ CYSLTR1 Q9Y271 2/20 0.45
▸ CYSLTR2 Q9NS75 1/20 0.45
▸ PDE10A Q9Y233 2/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ NCF1 P14598 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL23844622 0.79 CYP1A2 (0.52) CYP1A2CYSLTR1CYSLTR2PDE10ACYP3A4
SCHEMBL2877991 0.79 CYSLTR1 (0.52) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL9287417 0.76 CYP1A2 (0.49) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL7085590 0.76 CYSLTR1 (0.49) CYP1A2CYSLTR1CYSLTR2PDE10ACYP3A4
SCHEMBL3704591 0.74 CYSLTR1 (0.51) CYP1A2CYSLTR1CYSLTR2PDE10ACYP3A4
SCHEMBL10546745 0.73 CYSLTR2 (0.50) CYP1A2CYSLTR1CYSLTR2PDE10ACYP3A4
SCHEMBL456812 0.73 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL5594071 0.73 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2PDE10ACYP3A4
SCHEMBL5093242 0.73 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL29405396 0.72 CYSLTR1 (0.53) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1

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 35 patents — showing the first 20. 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 claimed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 — — US claimed
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2005-05-05 — — US claimed
US-6613789-B2 Especially for treating arthritis, pain and fever G. D. SEARLE & CO. 2003-09-02 — — US claimed
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2003-02-20 — — US claimed
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 — — EP claimed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 — — WO claimed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 — — EP claimed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 — — US claimed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 — — WO claimed
US-7220770-B2 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2007-05-22 — — US disclosed
EP-1193265-B1 A process for the preparation of 4-¬2-(aryl or heterocyclo)-1H-imidazol-1-yl|benzenesulfonamides SEARLE LLC (US) 2006-11-29 — — EP disclosed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 — — US disclosed
US-6960611-B2 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDICA (CN) 2005-11-01 — — US disclosed
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2005-05-05 — — US disclosed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 — — EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 — — US 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
WO-1996003387-A1 4,5-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 CYP1A2 921/4885CYSLTR1 8/4885CYSLTR2 6/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR CYP1A2 1041/4885CYSLTR1 10/4885CYSLTR2 6/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 CYP1A2 947/4885CYSLTR1 14/4885CYSLTR2 9/4885

“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.

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