SCHEMBL3979945

SCHEMBL3979945

CC(Br)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 1/20 0.50
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.42
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL29538594 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL3327700 0.86 CYP1A2 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL30800630 0.83 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL16687493 0.83 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL254406 0.83 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL2027982 0.83 CYP1A2 (0.62) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL31482892 0.83 CYP1A2 (0.62) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL16284318 0.83 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL16971066 0.83 TDP1 (0.62) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1666013 0.82 CYP1A2 (0.53) CYP1A2ALDH1A1HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110066861-A A kind of patterning microarray flow cell, production method, detection method and its application 南京拓远生物科技有限公司 2019-07-30 CN claimed
CN-107056870-A cell membrane biochemical marker probe capable of being regulated and controlled optically, and preparation method and application thereof 南京工业大学 2017-08-18 CN claimed
EP-0166155-B1 2-ALKYLSULPHONYL-1,4-DIAMINOBENZENES, PROCESS FOR THEIR PREPARATION AND OXIDATIVE HAIR-DYEING COMPOSITIONS CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 1987-09-23 EP claimed
EP-0166155-A1 2-Alkylsulphonyl-1,4-diaminobenzenes, process for their preparation and oxidative hair-dyeing compositions containing these compounds Wella Aktiengesellschaft (DE) 1986-01-02 EP claimed
US-11985889-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2024-05-14 US disclosed
CN-116987495-A Construction and application of protein membrane macromolecular probe for biological detection 江南大学 2023-11-03 CN disclosed
CN-114394978-B Nitric oxide light-activated fluorescent probe and preparation method and application thereof 徐州医科大学 2023-05-23 CN disclosed
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 US disclosed
CN-114773204-A Method for continuously preparing benzyl bromide derivative 浙江禾本科技股份有限公司 2022-07-22 CN disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 EP disclosed
CN-114394978-A Nitric oxide light-activated fluorescent probe and preparation method and application thereof 徐州医科大学 2022-04-26 CN disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
EP-0078756-B1 2-(4-PHENYL-PIPERAZINYLETHYL) ANILINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINE CORTIAL S.A. (FR) 1986-03-12 EP disclosed
WO-1986000303-A1 TWO-ALKYL-SULPHONYL-1,4-DIAMINOBENZENES, PREPARATION THEREOF AND UTILISATION THEREOF WELLA AKTIENGESELLSCHAFT (DE) 1986-01-16 WO disclosed
EP-0166155-A1 2-Alkylsulphonyl-1,4-diaminobenzenes, process for their preparation and oxidative hair-dyeing compositions containing these compounds Wella Aktiengesellschaft (DE) 1986-01-02 EP disclosed
US-4454334-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-12 US disclosed
US-4420325-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS & COMPANY (US) 1983-12-13 US disclosed
EP-0072352-A1 Benzazepin-2-ones, process for their preparation, pharmaceutical preparations containing these compounds and the compounds for therapeutical use CIBA-GEIGY AG (CH) 1983-02-16 EP disclosed
EP-0051466-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-05-12 EP disclosed
US-4213920-A Process for the production of substituted benzaldehydes CIBA-GEIGY CORPORATION (US) 1980-07-22 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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP1A2 378/4885ALDH1A1 150/4885HSD17B10 2189/4885

“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.