SCHEMBL6572398

SCHEMBL6572398

Nc1ccc(O)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 3/20 0.60
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.50
ALOX15 P16050 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
THRB P10828 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 3/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
PKM P14618 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5685028 0.91 ALDH1A1 (0.61) PELI1ALDH1A1GAAALOX15L3MBTL1
Hydrochloric Acid SCHEMBL5685037 0.89 ALDH1A1 (0.59) PELI1ALDH1A1GAAALOX15L3MBTL1
SCHEMBL6570708 0.86 ALDH1A1 (0.62) ALDH1A1GAAALOX15L3MBTL1TSHR
SCHEMBL11747623 0.84 PELI1 (0.67) PELI1ALDH1A1GAAALOX15THRB
Hydrochloric Acid SCHEMBL6572022 0.84 ALDH1A1 (0.61) ALDH1A1GAAALOX15L3MBTL1MAPK1
SCHEMBL6029637 0.83 ALDH1A1 (0.55) ALDH1A1GAAALOX15L3MBTL1THRB
SCHEMBL16428783 0.82 PELI1 (0.60) PELI1ALDH1A1ALOX15MAPK1TSHR
Hydrochloric Acid SCHEMBL6777643 0.81 ALDH1A1 (0.53) ALDH1A1GAAALOX15L3MBTL1THRB
SCHEMBL6011326 0.81 ALDH1A1 (0.61) ALDH1A1GAAALOX15L3MBTL1TSHR
SCHEMBL8711545 0.81 ALDH1A1 (0.60) PELI1ALDH1A1ALOX15HSD17B10TSHR

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
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP claimed
CN-113795256-A FGFR inhibitors for the treatment of cancer 布里奇恩生物科学公司 2021-12-14 CN disclosed
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP disclosed
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-14 US disclosed
EP-1208077-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-05-29 EP disclosed
WO-2002002507-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-01-10 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 (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-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 PELI1 1453/4885ALDH1A1 20/4885GAA 4440/4885

“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.