SCHEMBL13091073

SCHEMBL13091073

COc1ccc(N2CCN(CCNC(=O)c3ccc4c(=O)n(CCc5ccccc5)c(=O)[nH]c4c3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.82
HSD17B10 Q99714 8/20 0.82
SMN1; SMN2 Q16637 5/20 0.82
TP53 P04637 2/20 0.82
HPGD P15428 1/20 0.82
MAPT P10636 9/20 0.77
KDM4E B2RXH2 8/20 0.77
GAA P10253 7/20 0.77
LMNA P02545 4/20 0.77
HTR3A P46098 3/20 0.67
HTT P42858 3/20 0.66
KMT2A Q03164 1/20 0.65
GLA P06280 3/20 0.64
THRB P10828 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL13091079 0.91 HTR3A (0.79) ALDH1A1HSD17B10SMN1; SMN2TP53HPGD
SCHEMBL13942456 0.90 HSD17B10 (0.83) ALDH1A1HSD17B10SMN1; SMN2TP53HPGD
SCHEMBL13091081 0.87 HSD17B10 (0.79) ALDH1A1HSD17B10SMN1; SMN2TP53HPGD
SCHEMBL13091075 0.86 ALDH1A1 (0.84) ALDH1A1HSD17B10SMN1; SMN2TP53HPGD
SCHEMBL13091015 0.85 GAA (0.85) ALDH1A1HSD17B10SMN1; SMN2TP53HPGD
SCHEMBL13091076 0.84 MAPT (0.79) ALDH1A1HSD17B10SMN1; SMN2TP53HPGD
SCHEMBL13091078 0.83 HTR3A (0.74) ALDH1A1HSD17B10SMN1; SMN2TP53HPGD
SCHEMBL13091072 0.81 ALDH1A1 (0.84) ALDH1A1HSD17B10SMN1; SMN2TP53HPGD
SCHEMBL13091099 0.81 ALDH1A1 (0.84) ALDH1A1HSD17B10SMN1; SMN2TP53HPGD
SCHEMBL8230064 0.80 HTR3A (1.00) ALDH1A1HSD17B10SMN1; SMN2TP53MAPT

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
EP-2194783-B1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC (US) 2017-07-05 EP disclosed
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 3966/4885HSD17B10 2550/4885SMN1; SMN2 1154/4885

“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.