SCHEMBL13091024

SCHEMBL13091024

COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)ccc3c2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
ALDH1A1 P00352 4/20 0.79
USP2 O75604 4/20 0.79
LMNA P02545 3/20 0.79
GAA P10253 2/20 0.79
TSHR P16473 2/20 0.79
PKM P14618 1/20 0.79
CASP1 P29466 1/20 0.79
CASP7 P55210 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
HSD17B10 Q99714 1/20 0.79
GALR3 O60755 1/20 0.74
TNF P01375 1/20 0.74
RAB9A P51151 1/20 0.74
NOD1 Q9Y239 1/20 0.74
ESR1 P03372 1/20 0.71
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 3/20 0.66

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
SCHEMBL13091002 0.88 ALDH1A1 (0.85) HTTSMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL13943623 0.87 SMN1; SMN2 (0.84) HTTSMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL13091007 0.82 HPGD (0.79) HTTSMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL13091043 0.81 HPGD (0.68) HTTSMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL13091010 0.79 ALDH1A1 (0.73) HTTSMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL4254375 0.76 ALDH1A1 (0.72) HTTSMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL4256455 0.75 GAA (0.72) HTTSMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL13942923 0.75 GAA (0.66) HTTSMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL6517336 0.74 MEN1 (0.70) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL17242569 0.74 MEN1 (0.58) HTTSMN1; SMN2ALDH1A1USP2LMNA

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 HTT 1354/4885SMN1; SMN2 1154/4885ALDH1A1 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.