SCHEMBL3119397

SCHEMBL3119397

COC(=O)c1ccc(C2CCN(C(=O)C3=C(C)NC4=C(C(=O)CCC4)C3c3cccc4ccccc34)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
ALDH1A1 P00352 11/20 0.52
HSD17B10 Q99714 9/20 0.52
HPGD P15428 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
CASP1 P29466 4/20 0.47
GAA P10253 3/20 0.47
CASP7 P55210 3/20 0.47
TP53 P04637 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BAP1 Q92560 1/20 0.43
BCHE P06276 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2991081 0.91 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3010296 0.91 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3005526 0.90 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL2997411 0.86 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3005310 0.83 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3004395 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3004470 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL2996152 0.78 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3004836 0.78 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL17501871 0.75 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO claimed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US claimed
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 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-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885HSD17B10 537/4885

“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.