SCHEMBL20175319

SCHEMBL20175319

CCCCN1CCOc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HTT P42858 1/20 0.38
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP4 P49662 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL5519155 0.92 GAA (0.47) GAALMNAALDH1A1MAPTCHRNB4
SCHEMBL20175320 0.88 ALDH1A1 (0.41) GAALMNAALDH1A1MAPTCHRNB4
SCHEMBL5518656 0.87 ALDH1A1 (0.42) GAALMNAALDH1A1MAPTCHRNB4
SCHEMBL17505042 0.85 ALDH1A1 (0.42) GAALMNAALDH1A1MAPTCHRNB4
SCHEMBL17505037 0.84 MAPT (0.40) GAALMNAALDH1A1MAPTCHRNB4
SCHEMBL499016 0.84 NOS3 (0.48) ALDH1A1MAPTCHRNB4CHRNA3PIK3CD
SCHEMBL20175322 0.84 CHRNB4 (0.41) LMNAALDH1A1MAPTCHRNB4CHRNA3
SCHEMBL17505044 0.83 ALDH1A1 (0.50) GAALMNAALDH1A1MAPTHTT
SCHEMBL499372 0.82 ALDH1A1 (0.47) GAALMNAALDH1A1MAPTMEN1
SCHEMBL5519181 0.81 MAPT (0.47) GAALMNAALDH1A1MAPTPIK3CD

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-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2018-05-24 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-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING XDH, KRT18, CYC1 GAA 4749/4885LMNA 172/4885ALDH1A1 1230/4885

“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.