Sugi Predict

Sugi Predict / Compounds / SCHEMBL536956

SCHEMBL536956

SCHEMBL536956

CC(O)N(c1ccc([N+](=O)[O-])cc1)C(C)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PHLPP2 Q6ZVD8 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CRHBP P24387 2/20 0.48
▸ CRHR2 Q13324 2/20 0.48
▸ TLR9 Q9NR96 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ EPHX1 P07099 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8422913 0.90 PTGS2 (0.51) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL7608335 0.84 MAPT (0.55) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL12642678 0.77 CRHBP (0.64) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL1913395 0.76 TSHR (0.51) MAPTCYP1A2CYP3A4TSHRTDP1
SCHEMBL221484 0.76 MAPT (0.49) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL26042917 0.76 MAPT (0.59) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL9578278 0.75 MMP14 (0.53) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL8505366 0.75 PTGS2 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL1678369 0.74 GPR35 (0.50) L3MBTL1MAPK1TSHRTDP1ALDH1A1
SCHEMBL27855209 0.74 HSD17B10 (0.64) MAPTL3MBTL1MAPK1CYP1A2CYP3A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040374-B Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof CENTRAL SOUTH UNIVERSITY (CN) 2026-05-26 — — CN claimed
CN-120040374-A Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof 中南大学 2025-05-27 — — CN claimed
CN-120040374-B Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof CENTRAL SOUTH UNIVERSITY (CN) 2026-05-26 — — CN disclosed
CN-120040374-A Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof 中南大学 2025-05-27 — — CN disclosed
WO-2021130088-A1 COSMETIC COMPOSITION COMPRISING A POLYMER COMPRISING AT LEAST ONE CATIONIC (METH)ACRYLAMIDE UNIT, A PARTICULAR SILICONE AND AT LEAST ONE SURFACTANT L'OREAL (FR) 2021-07-01 — — WO disclosed
EP-3544576-A1 DYE COMPOSITION COMPRISING 12-HYDROXYSTEARIC ACID, AN ORGANIC AMINE AND A DYE L'Oréal (FR) 2019-10-02 — — EP disclosed
WO-2018096132-A1 DYE COMPOSITION COMPRISING 12-HYDROXYSTEARIC ACID, AN ORGANIC AMINE AND A DYE L'OREAL (FR) 2018-05-31 — — WO disclosed
US-9827180-B2 Agents for oxidatively dyeing hair, containing specific combinations of developers and couplers HENKEL AG & CO. KGAA (DE) 2017-11-28 — — US disclosed
WO-2017109182-A1 COMPOSITION COMPRISING AT LEAST TWO DIFFERENT STARCHES AND A COLOURING AGENT L'OREAL (FR) 2017-06-29 — — WO disclosed
US-20160250124-A1 AGENTS FOR OXIDATIVELY DYEING HAIR, CONTAINING SPECIFIC COMBINATIONS OF DEVELOPERS AND COUPLERS HENKEL AG & CO. KGAA (DE) 2016-09-01 — — US disclosed
US-8329842-B2 Ophthalmological composition and use thereof Arcltec GmbH (DE) 2012-12-11 — — US disclosed
EP-2222259-B8 OPHTHALMOLOGIC COMPOSITION AND USE THEREOF ACRI TEC GMBH (DE) 2012-02-15 — — EP disclosed
EP-2225293-B1 COPOLYMER AND OPHTHALMOLOGICAL COMPOSITION ZEISS CARL MEDITEC AG (DE) 2012-02-08 — — EP disclosed
EP-2222259-B1 OPHTHALMOLOGIC COMPOSITION AND USE THEREOF ACRI TEC GMBH (DE) 2011-06-29 — — EP disclosed
US-20110028667-A1 Copolymer and Ophthalmological Composition *ACRI.TEC GMBH (DE) 2011-02-03 — — US disclosed
US-20100324165-A1 Ophthalmological Composition And Use Thereof CARL ZEISS MEDITEC AG (DE) 2010-12-23 — — US disclosed
EP-2222259-A1 OPHTHALMOLOGIC COMPOSITION AND USE THEREOF *Acri. Tec GmbH (DE) 2010-09-01 — — EP disclosed
WO-2009074521-A1 OPHTHALMOLOGIC COMPOSITION AND USE THEREOF *ACRI.TEC GMBH (DE) 2009-06-18 — — WO disclosed
US-5078749-A Hair dyes, alkalizing agent for improved penetration of keratin fibers CLAIROL, INC. (US) 1992-01-07 — — US disclosed
US-5000755-A Nitroso compounds as direct dyes CLAIROL INCORPORATED (US) 1991-03-19 — — 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-20160250124-A1 AGENTS FOR OXIDATIVELY DYEING HAIR, CONTAINING SPECIFIC COMBINATIONS OF DEVELOPERS AND COUPLERS CBR1, SQOR, QDPR MAPT 1766/4885L3MBTL1 4509/4885MAPK1 1557/4885

“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.