Sugi Predict

Sugi Predict / Compounds / SCHEMBL254406

SCHEMBL254406

SCHEMBL254406

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ HSD17B10 Q99714 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ TDP1 Q9NUW8 4/20 0.50
▸ TSHR P16473 4/20 0.50
▸ PDK1 Q15118 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ PTPRC P08575 1/20 0.44
▸ S100A4 P26447 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL30800630 1.00 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2TDP1TSHR
SCHEMBL16687493 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2TDP1TSHR
SCHEMBL16284318 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2TDP1TSHR
SCHEMBL3327700 0.85 CYP1A2 (0.56) ALDH1A1HSD17B10CYP1A2TDP1TSHR
SCHEMBL888030 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP1A2TDP1TSHR
SCHEMBL6256628 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP1A2TDP1TSHR
SCHEMBL888202 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP1A2TDP1TSHR
SCHEMBL8125004 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP1A2TDP1TSHR
SCHEMBL13347475 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP1A2TDP1TSHR
SCHEMBL31146698 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP1A2TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069592-A Preparation method for synthesizing isopropyl aniline through solvent-free hydrogenation reduction 葫芦岛天启晟业化工有限公司 2023-11-17 — — CN claimed
CN-116672974-A Jet hydrogenation reactor 西安本清化学技术有限公司 2023-09-01 — — CN claimed
CN-112374991-B Method for producing isopropyl nitrobenzene by continuous slit vortex nitration 西安联众安科化工有限公司 2023-08-18 — — CN claimed
CN-112430188-B Novel method for preparing isopropyl aniline by hydrogenation technology 西安联众安科化工有限公司 2023-07-28 — — CN claimed
CN-112430188-A Method for preparing isopropyl aniline by novel hydrogenation technology 西安联众安科化工有限公司 2021-03-02 — — CN claimed
CN-112374991-A Method for producing isopropyl nitrobenzene by continuous slit vortex nitration 西安联众安科化工有限公司 2021-02-19 — — CN claimed
CN-121800650-A Method for preparing nitrocumene through microchannel nitration 南京理工大学 2026-04-07 — — CN disclosed
CN-121800650-A Method for preparing nitrocumene through microchannel nitration 南京理工大学 2026-04-07 — — CN disclosed
CN-116672974-B Jet hydrogenation reactor 西安本清化学技术有限公司 2025-09-16 — — CN disclosed
CN-113683517-B Aromatic amine derivative organic electroluminescent material and device thereof 北京夏禾科技有限公司 2025-01-10 — — CN disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 — — US disclosed
US-20240017996-A1 FLUORINATION PROCESSES UNIVERSITY COLLEGE LONDON (GB) 2024-01-18 — — US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 — — US disclosed
EP-0196574-B1 4,4'-DIAMINODIPHENYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-10 — — EP disclosed
CN-1036276-A Make the method for erect image and negative-appearing image with the static main leaf of photo-hardening DU PONT (US) 1989-10-11 — — CN disclosed
US-4859551-A Process for preparing positive and negative images using photohardenable electrostatic master E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 — — US disclosed
EP-0315121-A2 Process for preparing positive and negative images using photohardenable electrostatic master E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-10 — — EP disclosed
EP-0196574-A2 4,4'-Diaminodiphenyl compounds, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-08 — — EP disclosed
US-4269933-A PHOTOLITHOGRAPHY; POSITIVE AND NEGATIVE IMAGES; POLYMERIZATION OF A UNSATURATED POLYESTER USING A PHOTOSENSITIVE FREE RADICAL SYSTEM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 — — US disclosed
US-4198242-A Photopolymerizable composition containing an o-nitroaromatic compound as photoinhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-15 — — 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 (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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 ALDH1A1 3412/4885HSD17B10 450/4885CYP1A2 763/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 ALDH1A1 289/4885HSD17B10 329/4885CYP1A2 26/4885

“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.