SCHEMBL20175322

SCHEMBL20175322

COCCN1CCOc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41
TSHR P16473 1/20 0.41
GRM5 P41594 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL17525532 0.89 CHRNB4 (0.36) CHRNB4CHRNA3NPC1RAB9AMAPT
SCHEMBL17505047 0.86 HTT (0.40) CHRNB4CHRNA3ALDH1A1HTTPIK3CD
SCHEMBL5519155 0.86 GAA (0.47) CHRNB4CHRNA3MAPTALDH1A1HTT
SCHEMBL20175319 0.84 GAA (0.43) CHRNB4CHRNA3MAPTALDH1A1HTT
SCHEMBL19602142 0.84 HTT (0.38) NPC1RAB9AALDH1A1HTTLMNA
SCHEMBL17505042 0.84 ALDH1A1 (0.42) CHRNB4CHRNA3MAPTALDH1A1LMNA
SCHEMBL8265264 0.83 REN (0.50) CHRNB4CHRNA3TSHRRAB9AMAPT
SCHEMBL5518656 0.83 ALDH1A1 (0.42) CHRNB4CHRNA3MAPTALDH1A1PIK3CD
SCHEMBL499016 0.83 NOS3 (0.48) CHRNB4CHRNA3MAPTALDH1A1HTT
SCHEMBL17505044 0.82 ALDH1A1 (0.50) MAPTALDH1A1HTTLMNASMN1; SMN2

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 CHRNB4 466/4885CHRNA3 282/4885TSHR 2454/4885

“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.