SCHEMBL157885

SCHEMBL157885

Cc1ccc([NH])c(S(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
GAA P10253 4/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
CASP6 P55212 1/20 0.39
ELAVL1 Q15717 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MYC P01106 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
MPL P40238 1/20 0.37
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
USP2 O75604 1/20 0.35
SNCA P37840 1/20 0.35

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
SCHEMBL342585 0.83 ALDH1A1 (0.39) ALDH1A1GAAKMT2AKDM4EPOLB
SCHEMBL8959215 0.80 ALDH1A1 (0.42) ALDH1A1GAAKMT2AKDM4EPOLB
SCHEMBL1802598 0.79 KDM4E (0.52) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL246828 0.78 ALDH1A1 (0.51) ALDH1A1GAAKMT2AKDM4EPOLB
SCHEMBL7863311 0.78 MYC (0.33) MYCHSD17B10TSHRHIF1A
SCHEMBL11327329 0.78 MYC (0.41) ALDH1A1GAAKMT2AKDM4EPOLB
SCHEMBL361092 0.78 MAOA (0.45) ALDH1A1GAAKMT2AKDM4EPOLB
Water SCHEMBL15452952 0.77 ALDH1A1 (0.50) ALDH1A1GAAKMT2AKDM4EPOLB
SCHEMBL8612082 0.77 ALDH1A1 (0.50) ALDH1A1GAAKMT2AKDM4EPOLB
SCHEMBL1639914 0.77 ALDH1A1 (0.50) ALDH1A1GAAKMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
EP-0697443-B1 Triphendioxazine reactive dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-04 EP claimed
EP-0697443-A2 Triphendioxazine reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-21 EP claimed
US-4634448-A CATIONIC TRIAZINE DYES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1987-01-06 US claimed
EP-2206747-B1 ANTHRAPYRIDONE COMPOUND, SALT THEREOF, MAGENTA INK COMPOSITION AND COLORED BODY NIPPON KAYAKU KK (JP) 2013-11-06 EP disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-8226222-B2 Ink set, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-07-24 US disclosed
US-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-20110032302-A1 INK SET, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed
US-7871464-B2 Anthrapyridone compound or salt thereof, magenta ink composition and colored product NIPPON KAYAKU KABUSHIKI (JP) 2011-01-18 US disclosed
US-4693726-A Process for dyeing or printing cellulose fibers or cellulose blend fibers with pyridinium-triazine reactive dye, axable without alkali HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-15 US disclosed
US-4634448-A CATIONIC TRIAZINE DYES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1987-01-06 US disclosed
EP-0202436-A2 Process for dyeing or printing cellulosic fibres or cellulosic mixed fibres HOECHST AKTIENGESELLSCHAFT (DE) 1986-11-26 EP disclosed
EP-0187520-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-16 EP disclosed
US-4453945-A Process for dyeing cellulose fibers of its union fibers with reactive triazinyl dye quaternized with nicotinic acid NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-06-12 US disclosed
EP-0013996-B1 REACTIVE AZO COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE FOR DYEING FIBERS AND TEXTILES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-12-14 EP disclosed
EP-0053097-A1 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1982-06-02 EP disclosed
EP-0013996-A2 Reactive azo compounds, processes for their preparation and their use for dyeing fibers and textiles NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-08-06 EP 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES ALDH1A1 483/4885GAA 4230/4885KMT2A 2390/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 ALDH1A1 218/4885GAA 2451/4885KMT2A 1224/4885

“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.