SCHEMBL7089429

SCHEMBL7089429

CSc1ccc(C(=O)C(Br)c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
MAPT P10636 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALPG P10696 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL7508723 1.00 PLK1 (0.41) PLK1MAPTALOX5ALDH1A1MAPK1
SCHEMBL2534850 0.87 CES2 (0.48) ALDH1A1LMNASMN1; SMN2ALPGCES2
SCHEMBL7843096 0.86 PLK1 (0.42) PLK1ALDH1A1LMNASMN1; SMN2CES2
SCHEMBL7833587 0.86 PLK1 (0.42) PLK1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6516239 0.86 PLK1 (0.42) PLK1ALDH1A1LMNASMN1; SMN2CES2
SCHEMBL4988038 0.86 PLK1 (0.42) PLK1ALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL7843939 0.84 AKR1C3 (0.48) PLK1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10889643 0.84 CES2 (0.48) PLK1ALDH1A1LMNACES2CES1
SCHEMBL7845030 0.84 AKR1C3 (0.46) PLK1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8148223 0.83 CES2 (0.50) PLK1MAPTALOX5ALDH1A1MAPK1

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-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
US-6294568-B1 ANTIINFLAMMATORY AGENTS AND ANTITUMOR AGENTS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENTS AND COX2 ENZYME INHIBITORS NISSIN FOOD PRODUCTS CO., LTD. (JP) 2001-09-25 US disclosed
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
EP-1048649-A1 5-ARYLPYRROLE DERIVATIVES NISSIN FOOD PRODUCTS CO., LTD. (JP) 2000-11-02 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 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
EP-0772606-A1 SUBSTITUTED THIAZOLES 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
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES 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 PLK1 4835/4885MAPT 4666/4885ALOX5 74/4885

“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.