SCHEMBL45336

SCHEMBL45336

Nc1ccc(N[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CA9 Q16790 4/20 0.50
MAPT P10636 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
RAD52 P43351 1/20 0.41
ALOX12 P18054 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA4 P22748 1/20 0.39
CYP3A4 P08684 3/20 0.39

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
SCHEMBL23824900 0.98 CA9 (0.48) ALDH1A1CA9MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1883445 0.98 CA9 (0.48) ALDH1A1CA9MAPTMEN1KMT2A
Benzene SCHEMBL6151755 0.96 CA9 (0.47) ALDH1A1CA9MAPTMEN1KMT2A
Sulfuric Acid SCHEMBL1882493 0.90 CA9 (0.52) ALDH1A1CA9MAPTMEN1KMT2A
4-Nitroaniline SCHEMBL9302985 0.81 ALDH1A1 (0.62) ALDH1A1CA9MAPTMEN1KMT2A
SCHEMBL31732365 0.80 ALDH1A1 (0.38) ALDH1A1CA9MAPTMEN1KMT2A
Sulfanilamide SCHEMBL27456897 0.78 CA9 (0.55) CA9MAPTKMT2AGAASMN1; SMN2
SCHEMBL2333437 0.76 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10835888 0.76 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL7078201 0.76 MAPT (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1

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 1777 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390951-A Imino conjugated microporous polymer with high specific surface area and high conjugation degree and preparation method and application thereof 东华大学 2025-02-07 CN claimed
US-20240148629-A1 HAIR COLORING COMPOSITIONS L'OREAL (FR) 2024-05-09 US claimed
US-11730694-B1 Hair coloring compositions and methods L'OREAL (FR) 2023-08-22 US claimed
CN-114632430-B Covalent organic polymer material nanosheet composite matrix membrane for gas separation and preparation method thereof 中国科学院大连化学物理研究所 2023-04-18 CN claimed
CN-115882058-A Novel COF (chip on film) modified gel electrolyte of lithium battery and preparation method thereof 中国人民解放军军事科学院防化研究院 2023-03-31 CN claimed
US-11382851-B2 Hair dye composition containing at least one organic silicon compound, a direct dye and a film forming hydrophobic polymer HENKEL AG & CO. KGAA (DE) 2022-07-12 US claimed
CN-114727916-A Hair treatment composition comprising oil containing olefinic unsaturated hydrocarbon 株式会社LG生活健康 2022-07-08 CN claimed
CN-114632430-A Covalent organic polymer material nanosheet composite matrix membrane for gas separation and preparation method thereof 中国科学院大连化学物理研究所 2022-06-17 CN claimed
CN-112973468-B Method for preparing two-dimensional covalent organic framework ultrathin nanosheet material composite membrane and application 中国科学院大连化学物理研究所 2022-04-08 CN claimed
CN-112979970-B Method for preparing multi-nitrogen two-dimensional covalent organic framework material by using 1,3, 5-triacyl phloroglucinol as center and application 中国科学院大连化学物理研究所 2022-03-25 CN claimed
US-5041143-A N,N'-disubstituted nitro-para-phenylenediamines, and dyeing compositions containing the same L'OREAL (FR) 1991-08-20 US claimed
US-4910341-A Reacting chloroethyl chloroformate with 4-halo-3-nitroaniline in presence of a base; cyclization; alkaline hydrolysis L'OREAL (FR) 1990-03-20 US claimed
US-4875902-A HAIR DYES L'OREAL (FR) 1989-10-24 US claimed
US-4834768-A HAIR DYES L'OREAL (FR) 1989-05-30 US claimed
US-4828568-A N-(2,4-DIHYDROXYBENZYLIDENE)AMINO COMPOUNDS AS PRIMARY COUPLERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-05-09 US claimed
EP-0279016-A2 Powdered hair dye HOYU CO., LTD. (JP) 1988-08-24 EP claimed
US-4764174-A Nitrophenylenediamine dye composition having improved deposition on human hair and wool HELENE CURTIS, INC. (US) 1988-08-16 US claimed
US-4419101-A Chlorine-substituted nitro-para-phenylenediamines, a process for their preparation and their use in dyeing keratin fibres L'OREAL (FR) 1983-12-06 US claimed
US-4289495-A HAIR DYES, STORAGE STABILITY L'OREAL (FR) 1981-09-15 US claimed
US-4104020-A OXIDIZABLE DEVELOPER-COUPLER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1978-08-01 US claimed

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-20240148629-A1 HAIR COLORING COMPOSITIONS PLIN5, GK, PLIN3 ALDH1A1 227/4885CA9 3189/4885MAPT 4097/4885
US-11382851-B2 Hair dye composition containing at least one organic silicon compound, a direct dye and a film forming hydrophobic polymer KRT18, DSG1, CUTA ALDH1A1 354/4885CA9 244/4885MAPT 1057/4885
US-11730694-B1 Hair coloring compositions and methods AGPS, UGT8, ALPG ALDH1A1 360/4885CA9 1001/4885MAPT 2728/4885

“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.