SCHEMBL185814

SCHEMBL185814

CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3C)c(O)c12.[Na+].[Na+]

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 1/20 0.40
▸ THRB known ✓ P10828 2/20 0.40
▸ PTPN1 P18031 3/20 0.57
▸ USP2 O75604 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GRK2 P25098 1/20 0.50
▸ PLEC Q15149 1/20 0.50
▸ ENPP2 Q13822 5/20 0.48
▸ FUT8 Q9BYC5 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ APP P05067 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL4807909 1.00 PTPN1 (0.57) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL29377239 1.00 PTPN1 (0.57) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL29534088 0.88 ENPP2 (0.50) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL29350172 0.87 ENPP2 (0.56) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL2121243 0.87 ENPP2 (0.56) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL2121238 0.87 ENPP2 (0.56) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL185815 0.87 ENPP2 (0.56) MEN1KMT2AENPP2FUT8HTT
SCHEMBL1139743 0.87 ENPP2 (0.56) MEN1KMT2AENPP2FUT8HTT
SCHEMBL110153 0.87 ENPP2 (0.56) MEN1KMT2AENPP2FUT8HTT
SCHEMBL28343203 0.86 USP2 (0.52) PTPN1USP2ATML3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 — — EP claimed
US-10259946-B1 Sealing agents, methods of making and uses thereof James Hardie Technology Limited (IE) 2019-04-16 — — US disclosed
US-9173829-B2 Compositions for dyeing keratin fibers HENKEL AG & CO. KGAA (DE) 2015-11-03 — — US disclosed
US-9161898-B2 Compositions for colouring keratin fibres HENKEL AG & CO. KGAA (DE) 2015-10-20 — — US disclosed
US-20140298592-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2014-10-09 — — US disclosed
US-20140290690-A1 COMPOSITIONS FOR COLOURING KERATIN FIBRES HENKEL AG & CO. KGAA (DE) 2014-10-02 — — US disclosed
US-8632612-B2 Compositions for dyeing keratin fibers SEGETIS, INC. (US) 2014-01-21 — — US disclosed
EP-2613760-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Segetis, Inc. (US) 2013-07-17 — — EP disclosed
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2013-06-20 — — US disclosed
EP-2103299-B1 Oxidizing hair colourant compositions PROCTER & GAMBLE (US) 2013-02-27 — — EP disclosed
US-6461390-B1 Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 — — US disclosed
US-6361571-B1 USING TAUTOMERIC NONOXIDATIVE DYES AND POLYMETHINE DYES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-26 — — US disclosed
US-6231622-B1 MIXTURES; BLUE COLOR WELLA AKTIENGESELLSCHAFT (DE) 2001-05-15 — — US disclosed
US-6171347-B1 REMOVAL OF HAIR COLOR TO BE WORN FOR ONLY A SHORT PERIOD OF TIME UNDER MILD, GENTLE CONDITIONS BY USING A COMBINATION OF A SUITABLE REDUCTONE, SUCH AS ASCORBIC ACID, AND/OR A THIOL AND/OR A SULFITE WELLA AKTIENGESELLSCHAFT (DE) 2001-01-09 — — US disclosed
US-6146429-A DEVELOPER, COUPLER, BEESWAX AND PROTEIN HYDROLYZATES OR AMINO ACIDS WELLA AKTIENGESELLSCHAFT (DE) 2000-11-14 — — US disclosed
US-5865855-A COUPLING TWO PYRAZOLE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1999-02-02 — — US disclosed
US-4784959-A Method of detecting hydrocarbon fuel leaks LOCKHEED CORPORATION (US) 1988-11-15 — — US disclosed
US-4756854-A Method and apparatus for detecting hydrocarbon fuel leaks LOCKHEED CORPORATION (US) 1988-07-12 — — US disclosed
US-4745797-A Method and apparatus for detecting hydrocarbon fuel leaks LOCKHEED CORPORATION (US) 1988-05-24 — — US disclosed
US-4615828-A Method and apparatus for detecting hydrocarbon fuel leaks LOCKHEED CORPORATION (US) 1986-10-07 — — 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 (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-20140290690-A1 COMPOSITIONS FOR COLOURING KERATIN FIBRES KRT18, DSG1, PKN1 CA2 3072/4885THRB 4544/4885PTPN1 3042/4885
US-20140298592-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS KRT18, PKN3, IK CA2 2808/4885THRB 3252/4885PTPN1 3535/4885
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS KRT18, KRTCAP2, JUP CA2 2513/4885THRB 4745/4885PTPN1 4103/4885

“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.

Send feedback