SCHEMBL980449

SCHEMBL980449

COc1cccc2cc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)c(=O)oc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
CASP3 P42574 1/20 0.61
COMT P21964 2/20 0.60
MAPT P10636 8/20 0.58
TP53 P04637 4/20 0.58
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
THRB P10828 1/20 0.57
RECQL P46063 1/20 0.57
ATM Q13315 1/20 0.57
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL980732 0.92 RAB9A (0.62) KMT2ARAB9ANPC1CASP3MAPT
SCHEMBL2624631 0.82 KMT2A (1.00) KMT2ARAB9ANPC1COMTMAPT
SCHEMBL980581 0.81 CASP3 (0.59) KMT2ARAB9ANPC1CASP3MAPT
SCHEMBL981812 0.81 MAPT (0.78) KMT2ARAB9ANPC1CASP3MAPT
SCHEMBL980492 0.81 CASP3 (0.65) KMT2ARAB9ANPC1CASP3MAPT
SCHEMBL980155 0.80 CASP3 (0.65) KMT2ARAB9ANPC1CASP3MAPT
SCHEMBL980399 0.80 CASP3 (0.64) KMT2ARAB9ANPC1CASP3MAPT
SCHEMBL2740044 0.80 COMT (0.75) KMT2ARAB9ANPC1COMTMAPT
SCHEMBL979681 0.79 CASP3 (0.61) KMT2ARAB9ANPC1CASP3MAPT
SCHEMBL980118 0.79 CASP3 (0.63) KMT2ARAB9ANPC1CASP3MAPT

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 KMT2A 3710/4885RAB9A 3095/4885NPC1 2565/4885

“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.