SCHEMBL13091079

SCHEMBL13091079

COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCN4CCN(c5ccccc5)CC4)ccc3c2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.79
HSD17B10 Q99714 7/20 0.77
ALDH1A1 P00352 7/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
TP53 P04637 2/20 0.77
HPGD P15428 1/20 0.77
GAA P10253 7/20 0.77
MAPT P10636 6/20 0.77
LMNA P02545 3/20 0.77
KDM4E B2RXH2 3/20 0.77
HTT P42858 3/20 0.73
GLA P06280 2/20 0.73
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
CACNA1G O43497 4/20 0.72
NPSR1 Q6W5P4 2/20 0.72
USP2 O75604 1/20 0.65
PKM P14618 1/20 0.65
TSHR P16473 1/20 0.65
CASP1 P29466 1/20 0.65

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
SCHEMBL13942456 0.96 HSD17B10 (0.83) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL13091076 0.93 MAPT (0.79) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL13091081 0.93 HSD17B10 (0.79) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL13091078 0.92 HTR3A (0.74) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL13091015 0.91 GAA (0.85) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL13091073 0.91 ALDH1A1 (0.82) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL8230064 0.89 HTR3A (1.00) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL13091112 0.88 HTR3A (0.77) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL13091018 0.85 GAA (0.77) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53
SCHEMBL13091011 0.84 GAA (0.86) HTR3AHSD17B10ALDH1A1SMN1; SMN2TP53

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 HTR3A 4236/4885HSD17B10 2550/4885ALDH1A1 3966/4885

“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.