SCHEMBL9944845

SCHEMBL9944845

CCNC(=O)c1cc(N)c(NC)cc1N(C)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
EZH2 Q15910 11/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FUCA1 P04066 1/20 0.33
PTGES O14684 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL9944839 0.95 ALOX15 (0.40) ALOX15EZH2CA2ALDH1A1MAPT
SCHEMBL9944996 0.90 EZH2 (0.37) ALOX15EZH2CA2ALDH1A1MAPT
SCHEMBL9946614 0.87 PTGES (0.44) ALOX15EZH2ALDH1A1MAPTNPSR1
SCHEMBL9946863 0.84 PTGES (0.45) EZH2ALDH1A1MAPTNPSR1PTGES
SCHEMBL9944844 0.82 ALDH1A1 (0.45) EZH2CA2ALDH1A1MAPTNPSR1
SCHEMBL9946642 0.82 PTGES (0.42) EZH2PTGES
SCHEMBL9944904 0.80 RAB9A (0.44)
SCHEMBL9944853 0.78 ALOX15 (0.34) ALOX15ALDH1A1MAPTGAA
SCHEMBL9944838 0.77 ALDH1A1 (0.39) CA2ALDH1A1MAPTNPSR1
SCHEMBL9946636 0.76 PTGES (0.44) ALDH1A1PTGES

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES ALOX15 106/4885EZH2 3685/4885CA2 2940/4885

“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.