SCHEMBL14950396

SCHEMBL14950396

C[C@@H](CCCCn1c(=O)c2[nH]c(CN)nc2n(C)c1=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
PDE5A O76074 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE1C Q14123 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA1 P30542 1/20 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
SCHEMBL6346966 1.00 HSD17B10 (0.45) HSD17B10POLBALDH1A1CYP3A4CYP1A2
SCHEMBL6346970 1.00 HSD17B10 (0.45) HSD17B10POLBALDH1A1CYP3A4CYP1A2
SCHEMBL14143263 0.90 HSD17B10 (0.46) HSD17B10POLBALDH1A1CYP3A4CYP1A2
SCHEMBL12809336 0.89 HSD17B10 (0.60) HSD17B10POLBALDH1A1CYP3A4CYP1A2
SCHEMBL6349889 0.87 HSD17B10 (0.44) HSD17B10POLBALDH1A1CYP3A4CYP1A2
SCHEMBL14950395 0.87 HSD17B10 (0.44) HSD17B10POLBALDH1A1CYP3A4CYP1A2
SCHEMBL6347013 0.86 POLB (0.42) HSD17B10POLBALDH1A1CYP3A4CYP1A2
SCHEMBL6347008 0.86 POLB (0.42) HSD17B10POLBALDH1A1CYP3A4CYP1A2
SCHEMBL14950450 0.84 PDE5A (0.45) HSD17B10POLBALDH1A1CYP3A4CYP1A2
SCHEMBL6344178 0.83 POLB (0.40) HSD17B10POLBALDH1A1CYP3A4CYP1A2

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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 HSD17B10 4216/4885POLB 2420/4885ALDH1A1 3797/4885

“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.