SCHEMBL7087717

SCHEMBL7087717

CSc1ccc(C(C#N)O[Si](C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.37
ALOX5 P09917 3/20 0.34
ACACB O00763 1/20 0.32
KDM4E B2RXH2 2/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP17A1 P05093 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL6182661 0.84 SLC6A4 (0.33) SLC6A4ALOX5MAPT
SCHEMBL7089384 0.80 ALDH1A1 (0.39) ALOX5KDM4EALDH1A1MAPT
SCHEMBL4811110 0.79 KDM4E (0.38) ALOX5KDM4EHPGDALDH1A1MAPT
SCHEMBL28563394 0.79 ESR1 (0.48) KDM4ETSHRALDH1A1MAPTSLC6A2
SCHEMBL4671383 0.79 ALDH1A1 (0.40) TSHRALDH1A1MAPT
SCHEMBL7575011 0.79 LMNA (0.39) SLC6A4USP2HPGDALDH1A1SLC6A2
SCHEMBL16094149 0.79 CYP19A1 (0.41) TSHRALDH1A1
SCHEMBL6718841 0.79 LMNA (0.39) SLC6A4USP2HPGDALDH1A1SLC6A2
SCHEMBL3295316 0.78 TRPA1 (0.42) KDM4EHPGDTSHRALDH1A1MAPT
SCHEMBL2610138 0.78 TRPA1 (0.42) KDM4EHPGDTSHRALDH1A1MAPT

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 6 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 disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP 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 SLC6A4 2737/4885ALOX5 74/4885ACACB 626/4885

“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.