SCHEMBL6573424

SCHEMBL6573424

Nc1ccc(O)c(-c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
ALOX15 P16050 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
CASP6 P55212 1/20 0.46
LMNA P02545 1/20 0.46
CTSB P07858 1/20 0.45
RECQL P46063 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
SCHEMBL5685046 0.90 ALOX15 (0.61) MAPK1ALOX15L3MBTL1HSD17B10ALDH1A1
SCHEMBL6572263 0.83 ALDH1A1 (0.59) MAPK1ALOX15L3MBTL1HSD17B10ALDH1A1
SCHEMBL6030658 0.83 KMT2A (0.51) MAPK1ALOX15L3MBTL1HSD17B10ALDH1A1
SCHEMBL10713922 0.83 ALDH1A1 (0.58) MAPK1ALOX15L3MBTL1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL6574207 0.82 ALDH1A1 (0.58) MAPK1ALOX15L3MBTL1HSD17B10ALDH1A1
SCHEMBL5707256 0.81 ALDH1A1 (0.59) MAPK1HSD17B10ALDH1A1HPGDKMT2A
SCHEMBL6011540 0.80 TDP1 (0.59) MAPK1ALOX15L3MBTL1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL6011674 0.79 TDP1 (0.58) MAPK1ALOX15L3MBTL1HSD17B10ALDH1A1
SCHEMBL7653306 0.77 ALDH1A1 (0.54) MAPK1ALOX15L3MBTL1ALDH1A1HPGD
SCHEMBL28160051 0.77 MAPT (0.46) MAPK1L3MBTL1ALDH1A1HPGDKMT2A

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 6 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
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 MAPK1 2190/4885ALOX15 892/4885L3MBTL1 4512/4885

“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.