SCHEMBL3322385

SCHEMBL3322385

CNc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 3/20 0.59
CYP3A4 P08684 2/20 0.59
RECQL P46063 2/20 0.59
HCAR3 P49019 1/20 0.58
TDP1 Q9NUW8 3/20 0.58
ALOX15 P16050 2/20 0.58
HTT P42858 1/20 0.55
MAPK1 P28482 3/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 6/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CDC25B P30305 1/20 0.49
KAT2B Q92831 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 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
SCHEMBL30459805 1.00 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4RECQLHCAR3
Hydrochloric Acid SCHEMBL27467893 0.98 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4RECQLHCAR3
SCHEMBL6584237 0.85 TSHR (0.58) ALDH1A1TSHRCYP3A4RECQLHCAR3
SCHEMBL11315194 0.81 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4RECQLHCAR3
SCHEMBL2336839 0.81 HCAR3 (0.61) ALDH1A1TSHRCYP3A4RECQLHCAR3
SCHEMBL11877033 0.80 CYP3A4 (0.53) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL127282 0.80 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLHCAR3
SCHEMBL5163517 0.80 MAPT (0.64) ALDH1A1TSHRCYP3A4RECQLHCAR3
SCHEMBL10534498 0.79 HTT (0.71) ALDH1A1RECQLHCAR3TDP1HTT
SCHEMBL365880 0.79 MAPT (0.60) ALDH1A1TSHRRECQLHCAR3TDP1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008099332-A1 MULTISTEP HAIR COLOR REVITALIZING KIT AND ASSOCIATED METHODS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO claimed
US-20080189876-A1 Multistep hair color revitalizing kit and associated methods PROCTER & GAMBLE COMPANY, THE 2008-08-14 US claimed
US-7241318-B2 Hair dye CREATE CO. (JP) 2007-07-10 US claimed
US-20040111810-A1 Hair dye CREATE CO. (JP) 2004-06-17 US claimed
EP-1179028-A1 SOLVENT RESISTANT PHOTOSENSITIVE COMPOSITIONS Syntrix Biochip, Inc. (US) 2002-02-13 EP claimed
WO-2000032678-A1 SOLVENT RESISTANT PHOTOSENSITIVE COMPOSITIONS SYNTRIX BIOCHIP, INC. (US) 2000-06-08 WO claimed
CN-117069700-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-17 CN disclosed
CN-111170999-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-06-30 CN disclosed
CN-104788427-B 3 (2 pyrimdinyl-amino) phenylacryloyl amine compounds and its application 上海泓博智源医药股份有限公司 2017-05-31 CN disclosed
CN-105934432-A 2,4-disubstituted phenylene-1,5-diamine derivatives and applications thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom 上海海雁医药科技有限公司 2016-09-07 CN disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 WO disclosed
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
US-20100143274-A1 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS CIBA CORPORATION (US) 2010-06-10 US disclosed
EP-0758547-A1 Anthraquinone hair dyes having a quaternary ammonium side chain Bristol-Myers Company (US) 1997-02-19 EP disclosed
US-5529583-A HAIR DYE CLAIROL INCORPORATED (US) 1996-06-25 US disclosed
US-5520707-A CATIONIC HAIR DYES CLAIROL, INC. (US) 1996-05-28 US disclosed
US-4863481-A HAIR DYES L'OREAL (FR) 1989-09-05 US disclosed
US-4601726-A HAIR DYES L'OREAL (FR) 1986-07-22 US disclosed
US-4004877-A Hair dye and its use CARL BREHMER & SOHN (DT) 1977-01-25 US disclosed
US-3930792-A NITROAMINOBENZENE, QUATERNARY AMINE, N-OXYALKYLATED FATTY ACID AMIDES CLAIROL INCORPORATED (US) 1976-01-06 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-20100143274-A1 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS MAOA, MAOB, ACMSD ALDH1A1 464/4885TSHR 2456/4885CYP3A4 360/4885

“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.