SCHEMBL5631987

SCHEMBL5631987

Cc1cc[c]c([N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TDP1 Q9NUW8 4/20 0.37
HPRT1 P00492 1/20 0.36
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
AR P10275 3/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 2/20 0.33

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
SCHEMBL11502537 0.81 ALDH1A1 (0.46) HSD17B10ALDH1A1MAPTTDP1CRHBP
SCHEMBL9369721 0.80 FASN (0.39) ALDH1A1MAPTTDP1CRHBPCRHR2
SCHEMBL7380148 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTTDP1CRHBP
SCHEMBL7822062 0.77 ALDH1A1 (0.44) HSD17B10ALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL9493335 0.76 HTT (0.38) HSD17B10ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL6635967 0.75 CYP1A2 (0.33) ALDH1A1SMN1; SMN2MAPTTDP1MEN1
SCHEMBL457836 0.74 TSHR (0.44) HSD17B10ALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL7821293 0.73 TDP1 (0.44) HSD17B10ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL439377 0.72 BRD4 (0.37) HSD17B10ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL7709814 0.72 GPR35 (0.38) HSD17B10ALDH1A1SMN1; SMN2TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
US-20060122408-A1 Photogenerated reagents LC SCIENCES LC 2006-06-08 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-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR HSD17B10 1059/4885ALDH1A1 1813/4885SMN1; SMN2 4876/4885

“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.