SCHEMBL2476416

SCHEMBL2476416

COc1cccc(NCCO)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GBA1 P04062 4/20 0.46
CHRM2 P08172 1/20 0.44
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
EGFR P00533 1/20 0.41

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
Sulfuric Acid SCHEMBL7104162 0.93 KDM4E (0.46) KDM4EGLATSHRL3MBTL1GBA1
SCHEMBL20837291 0.83 NCF1 (0.44) KDM4EL3MBTL1CHRM2USP2HTR1A
SCHEMBL3073595 0.82 CHRM2 (0.62) KDM4EGLATSHRL3MBTL1GBA1
SCHEMBL27982786 0.81 TSHR (0.55) KDM4EGLATSHRL3MBTL1GBA1
SCHEMBL20232562 0.81 ALDH1A1 (0.42) KDM4EL3MBTL1CHRM2HTR1AADRA1D
SCHEMBL741786 0.81 CHRM2 (0.49) KDM4ETSHRL3MBTL1CHRM2HTT
SCHEMBL2219253 0.80 CHRM2 (0.51) KDM4EL3MBTL1CHRM2HTTHTR1A
SCHEMBL7808713 0.79 KDM4E (0.40) KDM4EGLATSHRL3MBTL1GBA1
SCHEMBL20837292 0.78 SMN1; SMN2 (0.46) KDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL9793192 0.78 KDM4E (0.39) KDM4EGLATSHRL3MBTL1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3989920-A1 ADDITIVES FOR COLORING AGENTS AND METHODS OF USE THEREOF Living Proof, Inc. (US) 2022-05-04 EP claimed
EP-1707242-A1 Oxidative hair colouring composition comprising 1,5- and /or 2,7-dihydroxy naphthalene and at least one further coupling agent Henkel Kommanditgesellschaft auf Aktien (DE) 2006-10-04 EP claimed
EP-3989920-A1 ADDITIVES FOR COLORING AGENTS AND METHODS OF USE THEREOF Living Proof, Inc. (US) 2022-05-04 EP disclosed
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof ADURO BIOTECH INC. (US) 2020-08-11 US disclosed
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF CHINOOK THERAPEUTICS, INC. 2019-04-25 US disclosed
WO-2019055750-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2019-03-21 WO disclosed
EP-1707242-B1 Oxidative hair colouring composition comprising 1,5- and /or 2,7-dihydroxy naphthalene and at least one further coupling agent HENKEL AG & CO KGAA (DE) 2011-10-05 EP disclosed
WO-2008049651-A1 PERFORMANCE-ENHANCED COSMETIC COMPOSITIONS WITH PURINE AND/OR PURINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2008-05-02 WO disclosed
EP-0858796-B2 Oxidative hair dye WELLA AG (DE) 2007-04-11 EP disclosed
EP-1707242-A1 Oxidative hair colouring composition comprising 1,5- and /or 2,7-dihydroxy naphthalene and at least one further coupling agent Henkel Kommanditgesellschaft auf Aktien (DE) 2006-10-04 EP disclosed
EP-1707242-A1 Oxidative hair colouring composition comprising 1,5- and /or 2,7-dihydroxy naphthalene and at least one further coupling agent Henkel Kommanditgesellschaft auf Aktien (DE) 2006-10-04 EP disclosed
EP-0910330-B1 HAIR DYE COMPOSITIONS AND PROCESS REVLON CONSUMER PROD CORP (US) 2003-10-22 EP disclosed
US-6596035-B2 Hair colorant consists of 1-10% inorganic persulfate, (b) 1-20% hydrogen peroxide, (c) 0.001-20% of at least one primary intermediate, one or more surfactants and optionally, a coupler for formation of oxidation dye REVLON CONSUMER PRODUCTS CORPORATION 2003-07-22 US disclosed
US-20030110577-A1 Novel p-aminophenols and colorants containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US disclosed
EP-0858796-B1 Oxidative hair dye WELLA AG (DE) 2003-02-26 EP disclosed
US-20010039685-A1 One step method and compositions for simultaneously coloring and highlighting hair REVLON CONSUMER PRODUCTS CORPORATION (US) 2001-11-15 US disclosed
WO-2001045657-A1 LIQUID CRYSTALLINE PEROXIDE COMPOSITIONS AND METHOD FOR COLORING AND/OR BLEACHING HAIR REVLON CONSUMER PRODUCTS CORPORATION (US) 2001-06-28 WO disclosed
US-6238653-B1 ORGANIC, AMPHIPHILIC, SURFACE ACTIVE INGREDIENT CAPABLE OF INTERACTING WITH THE WATER PHASE AND THE OIL PHASE TO FORM LYOTROPIC LIQUID CRYSTALS CONTAINING SAID WATER PHASE INGREDIENTS REVLON CONSUMER PRODUCTS CORPORATION 2001-05-29 US disclosed
EP-0858796-A2 Oxidative hair dye Wella Aktiengesellschaft (DE) 1998-08-19 EP disclosed
CN-1134275-A Composition for oxidation dyeing of keratinous fibres, and dyeing process using this composition OREAL (FR) 1996-10-30 CN 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 (4 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-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof NLRP3, NLRP1, P2RX7 KDM4E 1922/4885GLA 3087/4885TSHR 4008/4885
US-20030110577-A1 Novel p-aminophenols and colorants containing said compounds ALPP, GSTP1, GPX4 KDM4E 1805/4885GLA 1909/4885TSHR 1892/4885
US-20010039685-A1 One step method and compositions for simultaneously coloring and highlighting hair SHH, PRDX3, GSR KDM4E 3087/4885GLA 1132/4885TSHR 636/4885
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF NLRP3, NLRP1, P2RX7 KDM4E 1922/4885GLA 3087/4885TSHR 4008/4885

“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.