Sugi Predict

Sugi Predict / Compounds / SCHEMBL346541

SCHEMBL346541

SCHEMBL346541

COc1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.66
▸ TUBB P07437 1/20 0.66
▸ TUBA3C P0DPH7 1/20 0.66
▸ TUBA1B P68363 1/20 0.66
▸ TUBA4A P68366 1/20 0.66
▸ TUBB4B P68371 1/20 0.66
▸ TUBB3 Q13509 1/20 0.66
▸ TUBB2A Q13885 1/20 0.66
▸ TUBB8 Q3ZCM7 1/20 0.66
▸ TUBA3E Q6PEY2 1/20 0.66
▸ TUBA1A Q71U36 1/20 0.66
▸ TUBA1C Q9BQE3 1/20 0.66
▸ TUBB6 Q9BUF5 1/20 0.66
▸ TUBB2B Q9BVA1 1/20 0.66
▸ TUBB1 Q9H4B7 1/20 0.66
▸ ALDH1A1 P00352 9/20 0.61
▸ LMNA P02545 3/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61

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
SCHEMBL1159451 0.86 ALDH1A1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30268627 0.86 ALDH1A1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2144906 0.85 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL15416929 0.85 ALDH1A1 (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16960656 0.85 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL358145 0.85 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24749785 0.85 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30768307 0.85 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrazine SCHEMBL9324830 0.83 ALDH1A1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9153926 0.83 ALDH1A1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192584-A Siloxane modified terpyridine corrosion-resistant auxiliary agent and application thereof in preparation of intrinsic metal corrosion-resistant epoxy resin coating 厦门大学深圳研究院 2024-12-27 — — CN claimed
CN-118754832-A Chalcone and flavanone sulfonamide derivative, and synthetic method and application thereof 郑州大学 2024-10-11 — — CN claimed
CN-118598838-A 5,7,4' -Trimethoxy flavone sulfonamide derivative, preparation method and application thereof 郑州大学 2024-09-06 — — CN claimed
CN-116332802-B Tubulin and NRP1 double-target compound and preparation method and application thereof 中国药科大学 2023-08-22 — — CN claimed
CN-116332802-A Tubulin and NRP1 double-target compound and preparation method and application thereof 中国药科大学 2023-06-27 — — CN claimed
CN-113563740-A Anti-corrosion functional filler and preparation method and application thereof 厦门大学 2021-10-29 — — CN claimed
CN-113501783-A Erianin heterocyclic derivative and preparation method and application thereof 上海应用技术大学 2021-10-15 — — CN claimed
EP-2245132-B1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC NO 41424 (GB) 2017-10-18 — — EP claimed
CN-104649879-B Substituted benzene methylene 1,2,3,4-Tetrahydrooxonaphthalene analog derivative and preparation method, application 中国人民解放军第二军医大学 2017-01-04 — — CN claimed
CN-104649879-A Substituted benzylidene tetralone derivatives and preparation method and applications UNIV PLA 2ND MILITARY MEDICAL 2015-05-27 — — CN claimed
EP-1497255-A2 METHOD FOR PREPARING COMBRETASTATINS Aventis Pharma S.A. (FR) 2005-01-19 — — EP claimed
US-6759555-B2 CONDENSING (3,4,5-TRIMETHOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE WITH 3-NITRO-4-METHOXYBENZALDEHYDE, REDUCING THE NITRO INTERMEDIATE TO FORM 2-METHOXY-5-(2-(3,4,5-TRIMETHOXYPHENYL)-ETHENYL)ANILINE AVENTIS PHARMA S.A. (FR) 2004-07-06 — — US claimed
US-20030220404-A1 Process for the preparation of combretastatins AVENTIS PHARMA S.A. (FR) 2003-11-27 — — US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 — — US claimed
WO-2003084919-A2 METHOD FOR PREPARING COMBRETASTATINS AVENTIS PHARMA S.A. (FR) 2003-10-16 — — WO claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 — — US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 — — US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 — — EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 — — US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 — — WO 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 (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-20030220404-A1 Process for the preparation of combretastatins TGFB2, HMGCR, TGFB1 TUBB4A 1286/4885TUBB 709/4885TUBA3C 1394/4885

“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.