Sugi Predict

Sugi Predict / Compounds / SCHEMBL79163

SCHEMBL79163

SCHEMBL79163

O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.59
▸ TSHR P16473 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TP53 P04637 1/20 0.55
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ GAA P10253 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ PKM P14618 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL1138798 0.98 DTYMK (0.60) DTYMKALDH1A1TSHRMAPK1TP53
SCHEMBL6397440 0.98 DTYMK (0.60) DTYMKALDH1A1TSHRMAPK1TP53
SCHEMBL9354304 0.87 EIF4E (0.54) DTYMKALDH1A1TSHRMAPK1TP53
SCHEMBL9354317 0.87 EIF4E (0.54) DTYMKALDH1A1TSHRMAPK1TP53
SCHEMBL5384165 0.86 DTYMK (0.55) DTYMKALDH1A1TSHRMAPK1KMT2A
SCHEMBL535327 0.85 HPGD (0.58) ALDH1A1TSHRMAPK1TP53SMN1; SMN2
SCHEMBL40329 0.85 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL989121 0.84 EIF4E (0.47) DTYMKALDH1A1TSHRMAPK1CA1
SCHEMBL17350263 0.84 VCAM1 (0.56) DTYMKALDH1A1TSHRMAPK1KMT2A
SCHEMBL6395556 0.84 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241378-A Synthesis method of chloroprocaine hydrochloride intermediate impurity 南京斯泰尔医药科技有限公司 2025-01-03 — — CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 — — CN claimed
CN-114702506-B 11-carbonyl-20-ethoxy source oridonin and 14-OH esterified serial derivatives and application thereof 郑州大学 2023-08-22 — — CN claimed
CN-114702506-A 11-carbonyl-20-ethoxy economic oridonin and 14-OH esterified series derivatives and application thereof 郑州大学 2022-07-05 — — CN claimed
CN-105621587-B A kind of method using potentiometric titrations degradating chloro nitro-aromatic 浙江大学 2018-01-23 — — CN claimed
CN-105621587-A Method for degrading chloro-nitroaromatic by using sulfate radicals UNIV ZHEJIANG 2016-06-01 — — CN claimed
CN-103073432-A Synthetic method of 5-(2-chlorine-4-(trifluoromethyl) phenoxyl)-2-nitrobenzoic acid ZHEJIANG HUAJI BIOTECHNOLOGY CO LTD 2013-05-01 — — CN claimed
CN-101747300-B Mutual prodrug and preparation method based on paclitaxel and nitrogen mustard UNIV SHANGHAI 2012-11-07 — — CN claimed
CN-101747300-A Mutual prodrug and preparation method based on paclitaxel and nitrogen mustard UNIV SHANGHAI 2010-06-23 — — CN claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 — — US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 — — US claimed
US-20030175848-A1 Substituted dithiobisnitrobenzenes and their applications INSTITUT PASTEUR DE LILLE 2003-09-18 — — US claimed
EP-1082297-B1 SUBSTITUTED DITHIO-BIS-NITROBENZENES AND THEIR APPLICATIONS PASTEUR INSTITUT (FR) 2003-06-18 — — EP claimed
EP-0902683-A1 AGONISTS IN THE COSTIMULATION OF TcR/CD3-INDUCED T-LYMPHOCYTES RADOPATH LIMITED (GB) 1999-03-24 — — EP claimed
WO-1997034593-A1 AGONISTS IN THE COSTIMULATION OF TcR/CD3-INDUCED T-LYMPHOCYTES RADOPATH LIMITED (GB) 1997-09-25 — — WO claimed
EP-0519971-B1 NOVEL PHARMACEUTICALLY ACTIVE COMPOUNDS WHICH CAN BE FORMED FROM 1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO-(1,2-a)-PYRIMIDINE INST SOZIAL MED FORSCHUNG SA (CH) 1997-01-15 — — EP claimed
EP-0519971-A1 NOVEL PHARMACEUTICALLY ACTIVE COMPOUNDS WHICH CAN BE FORMED FROM 1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO-(1,2-a)-PYRIMIDINE. EEC PHARMA SA (FR) 1992-12-30 — — EP claimed
WO-1991013886-A1 NOVEL PHARMACEUTICALLY ACTIVE COMPOUNDS WHICH CAN BE FORMED FROM 1,3,4,6,7,8-HEXAHYDRO-2H-PYRIMIDO-(1,2-a)-PYRIMIDINE EEC-PHARMA S.A. (FR) 1991-09-19 — — WO claimed
EP-0080312-B1 THE PREPARATION OF CERTAIN DIPHENYL ETHERS ESPECIALLY 5-(4-TRIFLUOROMETHYLPHENOXY)- AND 5-(2-HALO-4-TRIFLUOROMETHYLPHENOXY)-2-NITROBENZOIC ACID AND SALTS AND ESTERS AND AMIDES ROHM AND HAAS COMPANY (US) 1985-05-29 — — EP claimed
US-3997342-A Photoconductive element exhibiting persistent conductivity EASTMAN KODAK COMPANY (US) 1976-12-14 — — 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 (2 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-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 DTYMK 627/4885ALDH1A1 1723/4885TSHR 4082/4885
US-20030175848-A1 Substituted dithiobisnitrobenzenes and their applications TST, TXN, NQO1 DTYMK 185/4885ALDH1A1 604/4885TSHR 1139/4885

“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.