SCHEMBL13091010

SCHEMBL13091010

COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(C5CCCCC5)CC4)ccc3c2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
GAA P10253 4/20 0.73
HTT P42858 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
HSD17B10 Q99714 3/20 0.73
USP2 O75604 2/20 0.73
LMNA P02545 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
PKM P14618 1/20 0.73
TSHR P16473 1/20 0.73
CASP1 P29466 1/20 0.73
CASP7 P55210 1/20 0.73
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
MAPT P10636 6/20 0.70
NPC1 O15118 1/20 0.67
KDM4E B2RXH2 1/20 0.66
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTR3A P46098 1/20 0.60

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
SCHEMBL13943782 0.86 HTT (0.59) ALDH1A1GAAHTTSMN1; SMN2HSD17B10
SCHEMBL13091043 0.83 HPGD (0.68) ALDH1A1GAAHTTSMN1; SMN2HSD17B10
SCHEMBL13943623 0.81 SMN1; SMN2 (0.84) ALDH1A1GAAHTTSMN1; SMN2HSD17B10
SCHEMBL13942923 0.80 GAA (0.66) ALDH1A1GAAHTTSMN1; SMN2HSD17B10
SCHEMBL13091024 0.79 HTT (0.79) ALDH1A1GAAHTTSMN1; SMN2HSD17B10
SCHEMBL4254375 0.79 ALDH1A1 (0.72) ALDH1A1GAAHTTSMN1; SMN2HSD17B10
SCHEMBL4256455 0.78 GAA (0.72) ALDH1A1GAAHTTSMN1; SMN2HSD17B10
SCHEMBL8230064 0.75 HTR3A (1.00) ALDH1A1GAAHTTSMN1; SMN2HSD17B10
SCHEMBL3239263 0.74 HRH3 (0.51) ALDH1A1SMN1; SMN2LMNAPKMKMT2A
SCHEMBL7655012 0.72 KDM4E (0.72) ALDH1A1GAAHTTSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 WO 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD ALDH1A1 3966/4885GAA 1653/4885HTT 1354/4885

“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.