SCHEMBL5884404

SCHEMBL5884404

NC(CN1CCCCC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SIGMAR1 Q99720 2/20 0.43
MEN1 O00255 2/20 0.43
LTA4H P09960 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.40
MITF O75030 1/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL6474949 0.77 HTR1A (0.52) TDP1L3MBTL1ALDH1A1CYP1A2MAPT
SCHEMBL7736561 0.76 MEN1 (0.50) KMT2AALDH1A1SIGMAR1MEN1CYP1A2
SCHEMBL27435293 0.76 MAPT (0.50) KMT2ATDP1L3MBTL1ALDH1A1MEN1
SCHEMBL1471179 0.75 CYP1A2 (0.49) KMT2ATDP1ALDH1A1MEN1CYP1A2
SCHEMBL16809212 0.73 ALDH1A1 (0.49) KMT2ATDP1ALDH1A1MEN1CYP1A2
SCHEMBL8796187 0.73 CYP1A2 (0.47) KMT2ATDP1ALDH1A1MEN1CYP1A2
SCHEMBL14452079 0.72 DPP4 (0.43) KMT2AL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL30100732 0.71 ALDH1A1 (0.53) KMT2ATDP1ALDH1A1MEN1CYP1A2
SCHEMBL30487743 0.71 ALDH1A1 (0.53) KMT2ATDP1ALDH1A1MEN1CYP1A2
SCHEMBL888030 0.71 ALDH1A1 (0.53) KMT2ATDP1ALDH1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US disclosed
CN-1671672-A Aryl-substituted benzimidazoles and their use as sodium channel blockers EURO CELTIQUE SA (LU) 2005-09-21 CN disclosed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP disclosed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US disclosed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 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-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers CACNA1S, CACNA1I, SCN1A KMT2A 2665/4885TDP1 378/4885L3MBTL1 118/4885

“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.