SCHEMBL3345938

SCHEMBL3345938

Cc1cc(-c2cc(C(N)=O)ccc2Cl)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLA2G10 O15496 3/20 0.41
ALPL P05186 3/20 0.40
P2RX7 Q99572 1/20 0.40
TTR P02766 2/20 0.39
EIF4E P06730 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAP2K4 P45985 2/20 0.38
TTK P33981 1/20 0.38
ILK Q13418 1/20 0.38
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
CHEK2 O96017 1/20 0.38
RORC P51449 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPKAPK2 P49137 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
SCHEMBL3345942 0.77 NPC1 (0.54) KDM4ENPC1GAAHSD17B10L3MBTL1
SCHEMBL3346686 0.75 P2RX7 (0.57) NPC1ALPLP2RX7L3MBTL1ALOX5
SCHEMBL2614354 0.72 NPC1 (0.64) KDM4ENPC1GAAHSD17B10ALPL
SCHEMBL27942525 0.70 NPC1 (0.49) KDM4ENPC1GAAHSD17B10L3MBTL1
SCHEMBL17485151 0.70 MAPK11 (0.48) HSD17B10CHEK2RORC
SCHEMBL3340363 0.70 ALPL (0.43) KDM4ENPC1GAAHSD17B10PLA2G10
SCHEMBL14456078 0.69 HSP90AA1 (0.50) KDM4ENPC1GAAHSD17B10L3MBTL1
SCHEMBL2467682 0.69 TAS1R3 (0.50) KDM4EHSD17B10
SCHEMBL3782207 0.67 ALDH1A1 (0.51)
SCHEMBL4471895 0.67 P2RX7 (0.57) NPC1GAAALPLP2RX7L3MBTL1

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 KDM4E 2591/4885NPC1 1906/4885GAA 3977/4885

“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.