SCHEMBL8440683

SCHEMBL8440683

O=CCN1CCN(Cc2cccc(N=O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
NOS1 P29475 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PRMT6 Q96LA8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8437163 0.79 KCNH2 (0.42) SIGMAR1
SCHEMBL8440881 0.79 SIGMAR1 (0.57) SIGMAR1NOS1MEN1KMT2ATDP1
SCHEMBL7658856 0.77 SIGMAR1 (0.69) SIGMAR1ALDH1A1
SCHEMBL8440690 0.73 ALDH1A1 (0.56) ALDH1A1KMT2AHSD17B10KDM4EGAA
SCHEMBL20038521 0.73 CHRNB2 (0.66) ALDH1A1KDM4ETDP1
SCHEMBL14314275 0.71 L3MBTL1 (0.55) NOS1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19847120 0.71 NOS1 (0.42) SIGMAR1NOS1ALDH1A1MEN1KMT2A
SCHEMBL24322436 0.71 SIGMAR1 (0.50) SIGMAR1NOS1ALDH1A1MEN1KMT2A
SCHEMBL3320391 0.68 HRH3 (0.44) SIGMAR1ALDH1A1
SCHEMBL3920342 0.68 LMNA (0.61) SIGMAR1ALDH1A1TDP1

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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 SIGMAR1 831/4885NOS1 1814/4885ALDH1A1 977/4885

“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.