SCHEMBL7085590

SCHEMBL7085590

[CH2]SCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 2/20 0.49
▸ CYSLTR2 Q9NS75 1/20 0.49
▸ CYP1A2 P05177 3/20 0.47
▸ PDE10A Q9Y233 3/20 0.43
▸ PRNP P04156 2/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NCF1 P14598 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPK10 P53779 1/20 0.40

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
SCHEMBL2877991 0.83 CYSLTR1 (0.52) CYSLTR1CYSLTR2CYP1A2PDE10APRNP
SCHEMBL5594071 0.81 CYSLTR1 (0.46) CYSLTR1CYSLTR2CYP1A2PDE10APRNP
SCHEMBL23844622 0.80 CYP1A2 (0.52) CYSLTR1CYSLTR2CYP1A2PDE10APRNP
SCHEMBL3704591 0.78 CYSLTR1 (0.51) CYSLTR1CYSLTR2CYP1A2PDE10APRNP
SCHEMBL10546745 0.77 CYSLTR2 (0.50) CYSLTR1CYSLTR2CYP1A2PDE10APRNP
SCHEMBL267839 0.77 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL3267444 0.76 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL2913941 0.76 PDE10A (0.61) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL30879956 0.76 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL5594068 0.76 CYP1A2 (0.45) CYSLTR1CYSLTR2CYP1A2PDE10APRNP

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 — — US claimed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 — — US claimed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 — — EP claimed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 — — EP claimed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 — — WO claimed
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 — — US disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 — — US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 — — EP disclosed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 — — EP 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 (1 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 CYSLTR1 11/4885CYSLTR2 10/4885CYP1A2 640/4885

“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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