SCHEMBL4853551

SCHEMBL4853551

O=[N+]([O-])Nc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FBP1 P09467 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HSD17B2 P37059 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GSK3B P49841 2/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL11568356 0.76 MEN1 (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL399101 0.76 TRPV1 (0.43) TSHRKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL8030507 0.76 TSHR (0.52) TSHRKMT2ACYP1A2CYP3A4MEN1
SCHEMBL8061244 0.76 ALDH1A1 (0.52) ALDH1A1TSHRALOX15KMT2ACYP1A2
SCHEMBL6199248 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1RAB9AFBP1
SCHEMBL28187810 0.76 LMNA (0.39) ALDH1A1TSHRKMT2ACYP1A2CYP3A4
SCHEMBL27695100 0.76 KMT2A (0.62) ALDH1A1TSHRALOX15KMT2AMEN1
SCHEMBL28211098 0.76 MAPT (0.57) KMT2AMEN1RAB9AFBP1MAPT
Hydrochloric Acid SCHEMBL28403396 0.74 ALDH1A1 (0.50) ALDH1A1KMT2ACYP1A2CYP3A4MEN1
SCHEMBL2118795 0.74 ALDH1A1 (0.57) ALDH1A1KMT2ACYP1A2MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101519537-A Asymmetric azo complex dyes and process for their preparation ABLE ADVANCED CHEMICALS CO LTD 2009-09-02 CN claimed
US-4555247-A MIXTURE OF VIOLET AND YELLOW DYESTUFFS L'OREAL (FR) 1985-11-26 US claimed
CN-101519537-A Asymmetric azo complex dyes and process for their preparation ABLE ADVANCED CHEMICALS CO LTD 2009-09-02 CN disclosed
US-7341604-B2 Highly affine cosmetic agent WELLA AG (DE) 2008-03-11 US disclosed
US-20060174423-A1 Highly affine cosmetic agent Wella GmbH (DE) 2006-08-10 US disclosed
US-20050257332-A1 Composition for coloring of keratin fibres KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-11-24 US disclosed
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 US disclosed
US-4555247-A MIXTURE OF VIOLET AND YELLOW DYESTUFFS L'OREAL (FR) 1985-11-26 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 (3 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-20060174423-A1 Highly affine cosmetic agent TYR, ENO1, CUTA ALDH1A1 1573/4885TSHR 787/4885ALOX15 332/4885
US-20050257332-A1 Composition for coloring of keratin fibres KRT18, CBR3, CYC1 ALDH1A1 299/4885TSHR 2834/4885ALOX15 2819/4885
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R ALDH1A1 4251/4885TSHR 145/4885ALOX15 2799/4885

“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.