SCHEMBL981334

SCHEMBL981334

COc1cncc(-c2cccc(NC(=O)c3cc4cccc(O)c4oc3=O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
CASP3 P42574 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA1 P30542 1/20 0.51
MAPT P10636 4/20 0.48
POLB P06746 1/20 0.48
MAOA P21397 2/20 0.48
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AKR1C3 P42330 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL979979 0.92 CASP3 (0.61) MAOBRAB9ANPC1CASP3MAPT
SCHEMBL982779 0.85 MAOB (0.61) MAOBRAB9ANPC1CASP3ADORA3
SCHEMBL978163 0.85 MAOB (0.52) MAOBRAB9ANPC1CASP3ADORA3
SCHEMBL978668 0.85 CASP3 (0.53) MAOBRAB9ANPC1CASP3ADORA3
SCHEMBL980408 0.84 KMT2A (0.52) MAOBRAB9ANPC1CASP3MAPT
SCHEMBL981176 0.83 CASP3 (0.51) MAOBRAB9ANPC1CASP3ADORA3
SCHEMBL980671 0.82 MAPK1 (0.55) MAOBRAB9ANPC1CASP3MAOA
SCHEMBL978558 0.81 MAOB (0.56) MAOBRAB9ANPC1CASP3ADORA3
SCHEMBL980673 0.81 RAB9A (0.56) MAOBRAB9ANPC1CASP3ADORA3
SCHEMBL980399 0.81 CASP3 (0.64) MAOBRAB9ANPC1CASP3MAPT

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 MAOB 3235/4885RAB9A 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.