SCHEMBL10311752

SCHEMBL10311752

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(C2(NC(=O)C3(NC(=O)c4cnc5n4[C@](C)(Cc4ccc(N)cc4)C(=O)N5c4cc(Cl)cc(Cl)c4)CC3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.46
ITGAL P20701 19/20 0.44
ITGB2 P05107 18/20 0.44
ICAM1 P05362 18/20 0.44

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
SCHEMBL10277544 0.93 TMEM97 (0.56) TMEM97ITGALITGB2ICAM1
SCHEMBL10277543 0.93 TMEM97 (0.56) TMEM97ITGALITGB2ICAM1
SCHEMBL10311751 0.91 TMEM97 (0.49) TMEM97ITGALITGB2ICAM1
SCHEMBL12310653 0.87 TMEM97 (0.46) TMEM97ITGALITGB2ICAM1
SCHEMBL10311754 0.87 TMEM97 (0.49) TMEM97ITGALITGB2ICAM1
SCHEMBL13804437 0.84 ITGB2 (0.53) TMEM97ITGALITGB2ICAM1
SCHEMBL13804435 0.83 ITGAL (0.55) TMEM97ITGALITGB2ICAM1
SCHEMBL12975780 0.82 TMEM97 (0.34) TMEM97
SCHEMBL13804192 0.82 ITGAL (0.51) TMEM97ITGALITGB2ICAM1
SCHEMBL10277689 0.81 TMEM97 (0.47) TMEM97ITGALITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US 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-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES ARG1, COL14A1, HPGDS TMEM97 3752/4885ITGAL 90/4885ITGB2 416/4885

“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.