SCHEMBL6771097

SCHEMBL6771097

CC(C)[N+]([O-])=Cc1ccc(CN)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
PSIP1 O75475 1/20 0.36
CA9 Q16790 3/20 0.35
ABAT P80404 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOS3 P29474 1/20 0.32

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
SCHEMBL9891035 0.84 NPC1 (0.41) NPC1RAB9AMAPT
SCHEMBL6776338 0.79 APP (0.37) NPC1RAB9AMAPT
SCHEMBL30128857 0.76 FBP1 (0.44) NPC1RAB9ACA1MAPTKDM4E
SCHEMBL30128697 0.75 TYR (0.48) NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14993280 0.75 EGFR (0.42) NPC1RAB9ACA9ABATCA1
SCHEMBL14993281 0.75 EGFR (0.42) NPC1RAB9ACA9ABATCA1
SCHEMBL14993283 0.75 EGFR (0.42) NPC1RAB9ACA9ABATCA1
SCHEMBL566832 0.74 NPC1 (0.45) NPC1RAB9AMAPT
SCHEMBL13924679 0.74 NPC1 (0.45) NPC1RAB9AMAPT
SCHEMBL30128650 0.72 FBP1 (0.49) NPC1RAB9ACA9CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815459-B2 USE IN PREVENTING VARIOUS MEDICAL DYSFUNCTIONS AND DISEASES ARISING FROM REACTIVE OXYGEN SPECIES, IN PARTICULAR STROKE, PARKINSON'S DISEASE, ALZHEIMER'S DISEASE; LIPID PEROXIDATION INHIBITION ACTIVITY SAM-SUNG ELECTRONICS CO., LTD. (KR) 2004-11-09 US disclosed
US-20030220337-A1 Seleno compounds containing nitrone moiety, their preparation and their therapeutic uses SAM-SUNG ELECTRONICS CO., LTD. (KR) 2003-11-27 US disclosed
WO-2003010154-A1 SELENO COMPOUNDS CONTAINING NITRONE MOIETY, THEIR PREPARATION AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-02-06 WO 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-20030220337-A1 Seleno compounds containing nitrone moiety, their preparation and their therapeutic uses GPX4, GPX1, LPO LOXL2 443/4885NPC1 112/4885RAB9A 455/4885

“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.