SCHEMBL980108

SCHEMBL980108

COc1cccc2cc(C(=O)Nc3ccc(-c4cn5ccccc5n4)cc3)c(=O)oc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.86
RAB9A P51151 5/20 0.62
KMT2A Q03164 5/20 0.62
NPC1 O15118 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 4/20 0.62
POLB P06746 4/20 0.62
PTK2B Q14289 1/20 0.62
TP53 P04637 2/20 0.58
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.53
PKM P14618 1/20 0.52
ADRB2 P07550 1/20 0.51
HTT P42858 2/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL32664390 0.92 CASP3 (1.00) CASP3RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL979418 0.92 CASP3 (1.00) CASP3RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL4727131 0.83 KDM4E (0.64) CASP3RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL978553 0.82 CASP3 (0.81) CASP3RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL980586 0.81 CASP3 (0.80) CASP3RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL29350605 0.80 SMN1; SMN2 (0.80) CASP3RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL18216694 0.80 SMN1; SMN2 (0.80) CASP3RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL981812 0.80 MAPT (0.78) CASP3RAB9AKMT2ANPC1MAPT
SCHEMBL980173 0.79 SMN1; SMN2 (0.77) CASP3RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL982575 0.77 SMN1; SMN2 (1.00) CASP3RAB9AKMT2ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133460-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER AND IMPROVING EPITHELIAL HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 WO disclosed
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 2/4885RAB9A 3095/4885KMT2A 3710/4885

“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.