SCHEMBL5044607

SCHEMBL5044607

NSc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.55
ICAM1 P05362 2/20 0.55
ITGAL P20701 2/20 0.55
TSHR P16473 5/20 0.48
CYP3A4 P08684 5/20 0.48
TP53 P04637 3/20 0.48
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 3/20 0.42
FBP1 P09467 1/20 0.42
MAPK1 P28482 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 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
SCHEMBL224671 0.79 FBP1 (0.58) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL30472043 0.79 FBP1 (0.58) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL3165346 0.79 ITGB2 (0.72) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL4127172 0.77 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL11163826 0.76 CYP3A4 (0.46) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL13780068 0.76 ITGB2 (0.52) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL10834427 0.75 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL224672 0.75 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL8779862 0.75 ITGB2 (0.50) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL11200775 0.73 ITGB2 (0.48) ITGB2ICAM1ITGALTSHRCYP3A4

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
WO-2019025156-A1 SUBSTITUTED PYRROLIDINONES, SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R ITGB2 3662/4885ICAM1 3118/4885ITGAL 3809/4885

“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.