SCHEMBL22057796

SCHEMBL22057796

C=C(N)c1cccc(-n2cccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 3/20 0.57
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 10/20 0.46
CASP6 P55212 5/20 0.43
DNMT1 P26358 2/20 0.43
MCL1 Q07820 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CASP8 Q14790 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PARP1 P09874 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CTDSP1 Q9GZU7 2/20 0.37
APOBEC3A P31941 1/20 0.37
CASP7 P55210 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3108140 0.82 AOC2 (0.69) AOC2MAPTL3MBTL1CASP6DNMT1
SCHEMBL27862485 0.81 AOC2 (0.53) AOC2MAPTL3MBTL1CASP6DNMT1
SCHEMBL19608637 0.81 AOC2 (0.57) AOC2MAPTL3MBTL1CASP6DNMT1
SCHEMBL28005159 0.79 AOC2 (0.51) AOC2MAPTL3MBTL1CASP6DNMT1
SCHEMBL13689487 0.78 AOC2 (0.50) AOC2MAPTL3MBTL1CASP6DNMT1
SCHEMBL594234 0.74 AOC2 (0.64) AOC2MAPTL3MBTL1CASP6DNMT1
SCHEMBL29671334 0.74 AOC2 (0.64) AOC2MAPTL3MBTL1CASP6DNMT1
SCHEMBL1388132 0.74 AOC2 (0.58) AOC2MAPTL3MBTL1CASP6DNMT1
SCHEMBL20319187 0.73 MAPT (0.68) AOC2MAPTL3MBTL1CASP6DNMT1
SCHEMBL5813574 0.73 AOC2 (0.62) AOC2MAPTL3MBTL1CASP6DNMT1

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-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death DANA-FARBER CANCER INSTITUTE, INC. 2020-06-04 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-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death BAX, BAD, TMBIM6 AOC2 4253/4885MAPT 4692/4885L3MBTL1 1124/4885

“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.