SCHEMBL9944975

SCHEMBL9944975

CCN(C)c1cc(NC)c(N)cc1C(=O)Nc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLG P00747 2/20 0.39
KLK1 P06870 2/20 0.39
KLK6 Q92876 2/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
RECQL P46063 1/20 0.39
AHR P35869 2/20 0.38

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
SCHEMBL9944731 0.83 FADS1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9944974 0.82 MAPT (0.47) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL9944985 0.81 KDR (0.35) HSD17B10ALDH1A1NPC1RAB9AKMT2A
SCHEMBL9946621 0.73 PTGES (0.48) TDP1NPC1SMN1; SMN2LMNAKMT2A
SCHEMBL9899451 0.72 FADS1 (0.50) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL9945036 0.71 ALDH1A1 (0.46) HSD17B10ALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL9944853 0.71 ALOX15 (0.34) ALDH1A1RAB9ALMNAHTTKDM4E
SCHEMBL17327571 0.71 MAPT (0.48) HSD17B10ALDH1A1PLGKLK1KLK6
SCHEMBL9944977 0.70 L3MBTL1 (0.41) HSD17B10ALDH1A1TDP1NPC1RAB9A
SCHEMBL9944979 0.70 L3MBTL1 (0.41) HSD17B10ALDH1A1TDP1NPC1RAB9A

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 HSD17B10 941/4885ALDH1A1 126/4885TDP1 2131/4885

“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.