SCHEMBL9911658

SCHEMBL9911658

CNC(=O)c1nc(-c2cccs2)cn1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
ERCC1 P07992 1/20 0.44
DNASE1 P24855 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
NPC1 O15118 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
ADORA2A P29274 4/20 0.43
ADORA3 P0DMS8 3/20 0.43
ADORA1 P30542 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL12973890 0.72 MEN1 (0.53) KDM4EALDH1A1NPC1HSD17B10GAA
SCHEMBL2039989 0.71 PDE10A (0.52) KDM4EALDH1A1NPC1HSD17B10MEN1
SCHEMBL13403422 0.71 BAZ2B (0.36) KDM4EGAAL3MBTL1
SCHEMBL15001139 0.70 KDM4E (0.50) KDM4EALDH1A1ERCC1DNASE1FEN1
SCHEMBL3460157 0.70 ATR (0.65) KDM4EALDH1A1ERCC1DNASE1FEN1
SCHEMBL10168098 0.69 ALDH1A1 (0.46) KDM4EALDH1A1NPC1HSD17B10MEN1
SCHEMBL18460824 0.68 RAB9A (0.48) KDM4EALDH1A1NPC1HSD17B10ADORA2A
SCHEMBL18848962 0.67 BACE1 (0.38) KDM4ENPC1GAARAB9AUSP2
SCHEMBL352098 0.67 KDM4E (0.68) KDM4EALDH1A1ERCC1DNASE1FEN1
SCHEMBL27905061 0.66 KDM4E (0.39) KDM4EALDH1A1NPC1HSD17B10MAPK1

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-8193225-B2 Isoxazole amides, derivatives and methods of chemical induction of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-06-05 US disclosed
US-20090036451-A1 Chemical inducers of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-02-05 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-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 KDM4E 2440/4885ALDH1A1 415/4885ERCC1 1915/4885

“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.