SCHEMBL980522

SCHEMBL980522

COc1cccc2cc(C(=O)Nc3cccc(-c4cnn(Cc5ccccc5)c4)c3)c(=O)oc12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.61
TP53 P04637 2/20 0.57
MAPT P10636 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
BACE1 P56817 1/20 0.54
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 2/20 0.48

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
SCHEMBL980508 0.89 IKBKE (0.48) CASP3TP53MAPTKMT2ABACE1
SCHEMBL978253 0.86 CASP3 (0.65) CASP3TP53MAPTMEN1KMT2A
SCHEMBL980399 0.80 CASP3 (0.64) CASP3TP53MAPTMEN1KMT2A
SCHEMBL981812 0.79 MAPT (0.78) CASP3TP53MAPTMEN1KMT2A
SCHEMBL980118 0.79 CASP3 (0.63) CASP3TP53MAPTMEN1KMT2A
SCHEMBL983054 0.79 CASP3 (0.63) CASP3TP53MAPTMEN1KMT2A
SCHEMBL980492 0.79 CASP3 (0.65) CASP3TP53MAPTMEN1KMT2A
SCHEMBL980155 0.79 CASP3 (0.65) CASP3TP53MAPTMEN1KMT2A
SCHEMBL982818 0.79 CASP3 (0.62) CASP3TP53MAPTMEN1KMT2A
SCHEMBL981013 0.78 CASP3 (0.61) CASP3TP53MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 CASP3 2/4885TP53 39/4885MAPT 3013/4885

“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.