SCHEMBL3412422

SCHEMBL3412422

c1ccc2c(c1)NOCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.52
ALOX5 P09917 1/20 0.41
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 4/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
OXTR P30559 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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 SCHEMBL29561196 0.98 ABCG2 (0.50) ABCG2ALOX5PKMTSHRITGB2
SCHEMBL10582071 0.79 ITGB2 (0.56) ABCG2ALOX5TSHRITGB2ICAM1
SCHEMBL6959135 0.78 ABCG2 (0.62) ABCG2ALOX5PKMTSHRITGB2
SCHEMBL4424499 0.70
SCHEMBL29353984 0.70
SCHEMBL8711 0.70
SCHEMBL14417491 0.70 ABCG2 (1.00) ABCG2PKMTSHRITGB2ICAM1
SCHEMBL29412531 0.70 PKM (0.59) ABCG2PKMTSHRGAALMNA
SCHEMBL9325795 0.70 ABCG2 (0.34) ABCG2
SCHEMBL28878116 0.70 ALOX5 (0.39) ABCG2ALOX5PKMTSHRITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545257-B1 Oxidative hair coloring compositions and process for dyeing human keratinous fibers BRISTOL MYERS SQUIBB CO (US) 1996-05-29 EP claimed
EP-0549263-A2 A process for the preparation of N-alkyl-3,4-dialkyloxyanilines and derivatives thereof CHEMAGIS LTD. (IL) 1993-06-30 EP claimed
EP-0545257-A2 Oxidative hair coloring compositions and process for dyeing human keratinous fibers BRISTOL-MYERS SQUIBB COMPANY (US) 1993-06-09 EP claimed
JP-4193828-A None JP disclosed
US-20240122832-A1 SUBSTITUTION OF AMMONIA IN HAIR ALTERING PRODUCTS JEFFERIES FINANCE LLC, AS COLLATERAL AGENT 2024-04-18 US disclosed
US-20190201308-A1 METHOD FOR COLORING HAIR NOXELL CORPORATION 2019-07-04 US disclosed
WO-2017105833-A1 HAIR COLORING COMPOSITION COMPRISING ONE OR MORE ACRYLATE MONOMERS THE PROCTER & GAMBLE COMPANY (US) 2017-06-22 WO disclosed
WO-2017105832-A1 HAIR COLORING COMPOSITION COMPRISING ONE OR MORE ACRYLIC COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2017-06-22 WO disclosed
US-20170165174-A1 Hair Coloring Composition Comprising One or More Acrylate Monomers THE PROCTER & GAMBLE COMPANY 2017-06-15 US disclosed
US-20170165173-A1 Hair Coloring Composition Comprising One or More Acrylic Compounds THE PROCTER & GAMBLE COMPANY 2017-06-15 US disclosed
EP-2257340-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-12-08 EP disclosed
WO-1999055678-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 1999-11-04 WO disclosed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 WO disclosed
EP-0888431-A1 DELIVERY SYSTEM HAVING RELEASE INHIBITOR LOADED ZEOLITE AND METHOD FOR MAKING SAME THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP disclosed
WO-1997034981-A1 DELIVERY SYSTEM HAVING RELEASE INHIBITOR LOADED ZEOLITE AND METHOD FOR MAKING SAME THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
JP-H04193828-A TREATING AGENT FOR HEPATOPATHY TSUMURA & CO 1992-07-13 JP disclosed
EP-0331357-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-06 EP disclosed
EP-0313974-A1 N-substituted derivatives of 1-desoxynojirimycine and 1-desoxymannonojirimycine, process for their preparation and their use as pharmaceuticals BAYER AG (DE) 1989-05-03 EP disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed
EP-0054304-A1 Alkylenedioxybenzene derivatives, acid addition salts thereof and a method for their preparation MITSUBISHI KASEI CORPORATION (JP) 1982-06-23 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 (3 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-20190201308-A1 METHOD FOR COLORING HAIR TYR, CYB5R3, ALDH1A3 ABCG2 1543/4885ALOX5 1319/4885PKM 908/4885
US-20170165174-A1 Hair Coloring Composition Comprising One or More Acrylate Monomers MTCH2, HAGH, ACR ABCG2 2705/4885ALOX5 2694/4885PKM 4509/4885
US-20170165173-A1 Hair Coloring Composition Comprising One or More Acrylic Compounds HRH3, HRH4, CHCHD3 ABCG2 1584/4885ALOX5 1229/4885PKM 4527/4885

“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.