SCHEMBL21532933

SCHEMBL21532933

Cc1ccc2cccc(C(=O)Nc3cccs3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
MAPT P10636 5/20 0.53
GAA P10253 4/20 0.53
CD38 P28907 1/20 0.51
TP53 P04637 3/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
HSD17B10 Q99714 4/20 0.45
ALOX15 P16050 3/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
METAP2 P50579 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL19240118 0.82 PARP1 (0.51) PARP1MAPTGAACD38TP53
SCHEMBL19240117 0.82 PARP1 (0.54) PARP1MAPTGAACD38TP53
SCHEMBL6533210 0.81 MAPK1 (0.49) PARP1MAPTGAARAB9ANPC1
SCHEMBL19250011 0.81 MAPT (0.50) PARP1MAPTGAACD38TP53
SCHEMBL19250010 0.80 PARP1 (0.51) PARP1MAPTGAACD38TP53
SCHEMBL19206635 0.78 MAPT (0.61) PARP1MAPTGAACD38TP53
SCHEMBL19206631 0.78 PARP1 (0.59) PARP1MAPTGAACD38TP53
SCHEMBL21532932 0.77 NPC1 (0.71) PARP1MAPTGAACD38TP53
SCHEMBL21532930 0.77 MAPT (0.48) PARP1MAPTGAACD38TP53
SCHEMBL19206639 0.76 PARP1 (0.56) PARP1MAPTGAACD38TP53

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
US-10730839-B2 Quinolines as cytoprotective agents NEURODON CORPORATION 2020-08-04 US disclosed
US-20190330156-A1 QUINOLINES AS CYTOPROTECTIVE AGENTS NEURODON CORPORATION 2019-10-31 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 (2 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-10730839-B2 Quinolines as cytoprotective agents IAPP, NFE2L2, NLN PARP1 665/4885MAPT 619/4885GAA 242/4885
US-20190330156-A1 QUINOLINES AS CYTOPROTECTIVE AGENTS IAPP, NFE2L2, NLN PARP1 665/4885MAPT 619/4885GAA 242/4885

“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.