SCHEMBL13091099

SCHEMBL13091099

CCN1CCN(CCCNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.84
GAA P10253 8/20 0.84
KDM4E B2RXH2 7/20 0.84
HSD17B10 Q99714 6/20 0.84
KMT2A Q03164 2/20 0.84
GLA P06280 3/20 0.81
MAPT P10636 5/20 0.76
TP53 P04637 1/20 0.72
RAB9A P51151 1/20 0.71
HPGD P15428 1/20 0.69
HTT P42858 1/20 0.69
LMNA P02545 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TSHR P16473 1/20 0.65
CACNA1G O43497 1/20 0.65
MAPK1 P28482 1/20 0.65
HTR3A P46098 1/20 0.62

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
SCHEMBL13091072 0.95 ALDH1A1 (0.84) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL13091075 0.95 ALDH1A1 (0.84) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL13091057 0.88 TSHR (0.84) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL13091073 0.81 ALDH1A1 (0.82) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL13091145 0.79 TSHR (1.00) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL13091095 0.78 TSHR (0.82) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL8227995 0.77 HTR3A (1.00) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL8227894 0.76 CACNA1G (1.00) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL5014211 0.76 HTR3A (0.90) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL5011379 0.76 HTR3A (0.91) ALDH1A1GAAKDM4EHSD17B10KMT2A

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 1653/4885KDM4E 3186/4885

“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.