SCHEMBL5656353

SCHEMBL5656353

COc1ccc([N+](=O)[O-])c2ccncc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
HTT P42858 5/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.43
HIPK2 Q9H2X6 1/20 0.42
CTSB P07858 1/20 0.41

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
SCHEMBL11817125 0.83 MAPT (0.64) MAPTHTTLMNATDP1ALDH1A1
SCHEMBL12426316 0.79 MAOA (0.52) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13483429 0.79 MAPT (0.52) MAPTHTTLMNATDP1ALDH1A1
SCHEMBL187850 0.78 ALDH1A1 (0.56) HTTTDP1ALDH1A1GAAL3MBTL1
SCHEMBL2241497 0.78 ALDH1A1 (0.56) MAPTHTTLMNATDP1ALDH1A1
SCHEMBL589908 0.78 ALDH1A1 (0.61) MAPTLMNATDP1ALDH1A1GAA
SCHEMBL14287066 0.78 MAPT (0.73) MAPTHTTLMNATDP1ALDH1A1
SCHEMBL29953514 0.78 MAPT (0.52) MAPTHTTLMNATDP1ALDH1A1
Hydrochloric Acid SCHEMBL3601018 0.77 ALDH1A1 (0.55) HTTTDP1ALDH1A1GAAL3MBTL1
SCHEMBL14589055 0.77 GAA (0.47) MAPTHTTLMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
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-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 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 (2 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 MAPT 4195/4885HTT 3751/4885LMNA 2921/4885
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor OPRL1, VRK1, OPRK1 MAPT 3341/4885HTT 2953/4885LMNA 3162/4885

“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.