SCHEMBL980106

SCHEMBL980106

COc1ccc2cc(C(=O)Nc3cccc(-c4cn5ccccc5n4)c3)c(=O)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.78
MAPT P10636 5/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
POLB P06746 4/20 0.78
NPC1 O15118 4/20 0.78
KMT2A Q03164 2/20 0.78
PTK2B Q14289 1/20 0.78
CASP3 P42574 1/20 0.72
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 6/20 0.61
LMNA P02545 3/20 0.61
HPGD P15428 3/20 0.61
MAPK1 P28482 1/20 0.61
MAOB P27338 6/20 0.57
GFER P55789 1/20 0.57
TP53 P04637 2/20 0.54
ADORA3 P0DMS8 1/20 0.52
ADORA1 P30542 1/20 0.52
SMO Q99835 1/20 0.52

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
SCHEMBL982575 0.88 SMN1; SMN2 (1.00) RAB9AMAPTSMN1; SMN2POLBNPC1
SCHEMBL32664390 0.84 CASP3 (1.00) RAB9AMAPTSMN1; SMN2POLBNPC1
SCHEMBL979418 0.84 CASP3 (1.00) RAB9AMAPTSMN1; SMN2POLBNPC1
SCHEMBL979433 0.82 SMN1; SMN2 (0.82) RAB9AMAPTSMN1; SMN2POLBNPC1
SCHEMBL1494756 0.81 RAB9A (0.79) RAB9AMAPTSMN1; SMN2POLBNPC1
SCHEMBL18216694 0.81 SMN1; SMN2 (0.80) RAB9AMAPTSMN1; SMN2POLBNPC1
SCHEMBL29350605 0.81 SMN1; SMN2 (0.80) RAB9AMAPTSMN1; SMN2POLBNPC1
SCHEMBL4781504 0.80 KDM4E (0.77) RAB9AMAPTSMN1; SMN2POLBNPC1
SCHEMBL980173 0.79 SMN1; SMN2 (0.77) RAB9AMAPTSMN1; SMN2POLBNPC1
SCHEMBL978553 0.77 CASP3 (0.81) RAB9AMAPTSMN1; SMN2POLBNPC1

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 RAB9A 3095/4885MAPT 3013/4885SMN1; SMN2 1555/4885

“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.