SCHEMBL5657418

SCHEMBL5657418

COc1c([N+](=O)[O-])ccc2ccncc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
HTT P42858 6/20 0.44
GAA P10253 2/20 0.44
TXNRD1 Q16881 5/20 0.43
MAPT P10636 6/20 0.42
LMNA P02545 2/20 0.42
HASPIN Q8TF76 2/20 0.40
DAPK3 O43293 1/20 0.40
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PLK2 Q9NYY3 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XDH P47989 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL4595353 0.78 ALDH1A1 (0.55) MAPTLMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL11090929 0.76 TDP1 (0.46) HTTGAAMAPTLMNAHASPIN
SCHEMBL5656353 0.74 MAPT (0.56) HTTGAAMAPTLMNAPOLB
SCHEMBL7865819 0.74 MAOA (0.67) MAOAMAPTALDH1A1
SCHEMBL3292426 0.74 ALDH1A1 (0.63) HTTMAPTLMNAPOLBTDP1
SCHEMBL11742621 0.73 MAPT (0.45) HTTGAAMAPTLMNAHASPIN
SCHEMBL6338256 0.72 MAOA (0.64) MAOAHTTMAPTLMNAHASPIN
SCHEMBL29751387 0.72 MAOA (0.60) MAOAHASPIN
SCHEMBL11817125 0.71 MAPT (0.64) HTTGAAMAPTLMNAHASPIN
SCHEMBL20897727 0.71 PDE10A (0.61) HTTGAATXNRD1MAPTLMNA

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-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2004-08-12 US disclosed
WO-2004007459-A2 NAPHTHOL, QUINOLINE AND ISOQUINOLINE-DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 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-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor OPRL1, VRK1, OPRK1 MAOA 4236/4885HTT 2953/4885GAA 3604/4885

“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.