SCHEMBL9944839

SCHEMBL9944839

CCNC(=O)c1cc(N)c(NC)cc1N(C)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
CA2 P00918 1/20 0.35
EZH2 Q15910 10/20 0.34
FUCA1 P04066 1/20 0.32
PRKCI P41743 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PLAT P00750 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DYRK1A Q13627 1/20 0.31
PTGES O14684 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL9944845 0.95 ALOX15 (0.44) ALOX15CA2EZH2FUCA1ALDH1A1
SCHEMBL9944996 0.87 EZH2 (0.37) ALOX15CA2EZH2ALDH1A1MAPT
SCHEMBL9946642 0.86 PTGES (0.42) EZH2PRKCIPTGES
SCHEMBL9946614 0.82 PTGES (0.44) ALOX15EZH2ALDH1A1MAPTNPSR1
SCHEMBL9944838 0.81 ALDH1A1 (0.39) CA2ALDH1A1MAPTNPSR1
SCHEMBL9946863 0.81 PTGES (0.45) EZH2ALDH1A1MAPTNPSR1PTGES
SCHEMBL9944853 0.80 ALOX15 (0.34) ALOX15PRKCIALDH1A1MAPT
SCHEMBL9944844 0.78 ALDH1A1 (0.45) CA2EZH2ALDH1A1MAPTNPSR1
SCHEMBL9944904 0.77 RAB9A (0.44)
SCHEMBL9946636 0.74 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 106/4885CA2 2940/4885EZH2 3685/4885

“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.