SCHEMBL2948384

SCHEMBL2948384

Cc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.69
ALDH1A1 P00352 5/20 0.69
TDP1 Q9NUW8 3/20 0.69
CYP3A4 P08684 3/20 0.64
GPR35 Q9HC97 3/20 0.59
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 2/20 0.54
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
ACHE P22303 2/20 0.52
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
LMNA P02545 1/20 0.48

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
SCHEMBL29431205 0.83 ALDH1A1 (0.56) TSHRALDH1A1TDP1CYP3A4GPR35
SCHEMBL29349558 0.83 ALDH1A1 (0.69) TSHRALDH1A1TDP1CYP3A4GPR35
SCHEMBL48806 0.83 ALDH1A1 (0.69) TSHRALDH1A1TDP1CYP3A4GPR35
SCHEMBL384312 0.82 ALDH1A1 (1.00) TSHRALDH1A1TDP1CYP3A4GPR35
SCHEMBL29511002 0.82 ALDH1A1 (1.00) TSHRALDH1A1TDP1CYP3A4GPR35
SCHEMBL9737090 0.81 ALDH1A1 (0.67) TSHRALDH1A1TDP1CYP3A4GPR35
SCHEMBL9737083 0.81 ALDH1A1 (0.67) TSHRALDH1A1TDP1CYP3A4GPR35
SCHEMBL11293963 0.80 MAPT (0.60) TSHRALDH1A1TDP1CYP3A4MAPT
SCHEMBL557939 0.80 TSHR (0.72) TSHRALDH1A1TDP1CYP3A4GPR35
SCHEMBL30683694 0.80 ALDH1A1 (0.72) TSHRALDH1A1TDP1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119715865-A Method for measuring target organic matters in waste acid 四川北方红光特种化工有限公司 2025-03-28 CN claimed
CN-117741003-A Method for measuring 6 nitrobenzene compounds in cosmetics by ultra-high performance liquid chromatography-quadrupole-time-of-flight mass spectrometry 广西壮族自治区食品药品检验所 2024-03-22 CN claimed
CN-116046931-A Method for determining mass fraction of nitrotoluene in waste acid by gas chromatography 四川北方红光特种化工有限公司 2023-05-02 CN claimed
CN-113292932-A Environment-friendly double-component water-based hot vulcanization adhesive and preparation method thereof 深圳博林新材料科技有限公司 2021-08-24 CN claimed
US-10786805-B2 Cadmium sulfide quantum dots NORTHWESTERN UNIVERSITY (US) 2020-09-29 US claimed
US-20200094301-A1 Heat-Enhanced Treatment Of Energetic Compounds In Contaminated Soil, Sediment And/Or Water CDM SMITH INC. 2020-03-26 US claimed
CN-104860786-B A kind of preparation method of Hexanitrohexaazaisowurtzitane and 2,5 dinitrotoluene (DNT) cocrystallized explosives 西安近代化学研究所 2017-08-08 CN claimed
US-20160288106-A1 CADMIUM SULFIDE QUANTUM DOTS UNITED STATES DEPARTMENT OF ENERGY 2016-10-06 US claimed
WO-2016153989-A1 CADMIUM SULFIDE QUANTUM DOTS NORTHWESTERN UNIVERSITY (US) 2016-09-29 WO claimed
CN-105218375-A A kind of synthetic method of 2-methyl-4-nitrobenzoic acid DING YUQIN 2016-01-06 CN claimed
CN-104860786-A Preparation method of hexanitrohexaazaisowurtzitane and 2,5-dinitrotoluene eutectic explosive XIAN MODERN CHEMISTRY RES INST 2015-08-26 CN claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-7595424-B2 Method for producing aromatic amines or aliphatic amino alcohols BASF AKTIENGESELLSCHAFT (DE) 2009-09-29 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-12623196-B2 Feed supply unit BASF SE (DE) 2026-05-12 US disclosed
US-20250361627-A1 Electrochemical Alcohol Nitration Systems and Methods YALE UNIVERSITY (US) 2025-11-27 US disclosed
EP-0005226-A1 Process for the manufacture of urethanes BAYER AG (DE) 1979-11-14 EP disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3931347-A ALKALI METAL DISULFIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (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 (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-12623196-B2 Feed supply unit F8, F5, ATP6V1H TSHR 140/4885ALDH1A1 3320/4885TDP1 4615/4885
US-20250361627-A1 Electrochemical Alcohol Nitration Systems and Methods ADH1C, NOS1, NOS2 TSHR 2645/4885ALDH1A1 187/4885TDP1 544/4885
US-10786805-B2 Cadmium sulfide quantum dots AS3MT, TST, SQOR TSHR 2865/4885ALDH1A1 486/4885TDP1 3356/4885

“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.