SCHEMBL576415

SCHEMBL576415

Fc1ccc([CH]c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.71
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
RECQL P46063 1/20 0.54
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
EGFR P00533 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MEN1 O00255 2/20 0.40
PLA2G7 Q13093 1/20 0.40
POLB P06746 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
SCHEMBL1798676 0.88 NFE2L2 (0.52) NFE2L2ALDH1A1MAPTALOX15TSHR
SCHEMBL2357484 0.85 ALDH1A1 (0.50) NFE2L2ALDH1A1MAPTTSHRRECQL
SCHEMBL700760 0.83 NFE2L2 (1.00) NFE2L2
SCHEMBL18867936 0.83 NFE2L2 (1.00) NFE2L2
SCHEMBL700761 0.83 NFE2L2 (1.00) NFE2L2
SCHEMBL4946969 0.83 NFE2L2 (1.00) NFE2L2
SCHEMBL1302 0.82 ALDH1A1 (0.53) NFE2L2ALDH1A1MAPTTSHRRECQL
SCHEMBL18240554 0.80 NFE2L2 (0.69) NFE2L2NPC1RAB9APKM
SCHEMBL22711559 0.78 ALDH1A1 (0.50) NFE2L2ALDH1A1MAPTTSHRRECQL
SCHEMBL28995582 0.78 ALDH1A1 (0.50) NFE2L2ALDH1A1MAPTTSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-04 US claimed
WO-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
EP-2231613-B1 MONTELUKAST BENZHYDRYL PIPERAZINE SALTS AND PROCESS FOR PREPARATION THEREOF TORRENT PHARMACEUTICALS LTD (IN) 2011-10-12 EP claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-7192953-B2 Antibacterial agents VERNALIS (OXFORD) LIMITED (GB) 2007-03-20 US claimed
US-20060172990-A1 Antibacterial agents VERNALIS (OXFORD) LTD. (GB) 2006-08-03 US claimed
US-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine VERNALIS (OXFORD) LIMITED (GB) 2006-06-15 US claimed
EP-1572630-A1 ANTIBACTERIAL AGENTS Vernalis (Oxford) Ltd (GB) 2005-09-14 EP claimed
EP-1567504-A1 ANTIBACTERIAL AGENTS Vernalis (Oxford) Ltd (GB) 2005-08-31 EP claimed
WO-2004056751-A1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-07-08 WO claimed
WO-2004050638-A1 ANTIBACTERIAL AGENTS VERNALIS (OXFORD) LTD. (GB) 2004-06-17 WO claimed
CN-1440390-A Substituted diamine derivatives as motilin antagonists ORTHO MCNEIL PHARM INC (US) 2003-09-03 CN claimed
CN-1207094-A Phenyl thiazole derivatives with anti herpes virus properties BOEHRINGER INGELHEIM PHARMA (US) 1999-02-03 CN claimed
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 EP disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 WO disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0421823-A2 Novel tetracyclic compounds having anti-allergic and anti-asthmatic activities, their preparation and use Sankyo Company Limited (JP) 1991-04-10 EP disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 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 (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-20060172990-A1 Antibacterial agents RPS6, C3AR1, C5 NFE2L2 1310/4885ALDH1A1 3122/4885MAPT 4862/4885
US-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine HRH2, HCAR3, HCAR2 NFE2L2 812/4885ALDH1A1 802/4885MAPT 4852/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 NFE2L2 3063/4885ALDH1A1 3972/4885MAPT 2493/4885
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 NFE2L2 3178/4885ALDH1A1 559/4885MAPT 3029/4885

“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.