SCHEMBL4759717

SCHEMBL4759717

CCN(C)c1ccc(C(=O)C2OCc3nc(NC(=O)N(C)C)sc3C2=O)cn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.33
AOC3 Q16853 1/20 0.31
CXCR1 P25024 1/20 0.30
CXCR2 P25025 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4759713 0.92 PIK3CG (0.35) HCAR3AOC3
SCHEMBL2689466 0.87 GPR119 (0.35)
SCHEMBL4759715 0.83 PIK3CG (0.39) ALDH1A1MAPK1HSD17B10
SCHEMBL12598913 0.83 NPC1 (0.35) HCAR3AOC3TRPV1ALDH1A1MAPK1
SCHEMBL2690998 0.78 LMNA (0.34)
SCHEMBL2690337 0.77 LMNA (0.35)
SCHEMBL2690832 0.75 OGA (0.38)
SCHEMBL4759337 0.75 LMNA (0.38) HCAR3
SCHEMBL12598911 0.75 ALDH1A1 (0.36) HCAR3AOC3ALDH1A1MAPK1HSD17B10
SCHEMBL2688914 0.74 PIK3CG (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 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-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 HCAR3 4031/4885AOC3 2844/4885CXCR1 1110/4885

“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.