SCHEMBL3608419

SCHEMBL3608419

Brc1ccc(-c2cc[c]o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
MAOB P27338 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP2A6 P11509 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
PTPN1 P18031 1/20 0.35
MAOA P21397 1/20 0.33
TNKS O95271 1/20 0.33
MAPT P10636 3/20 0.33
PKM P14618 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 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
SCHEMBL511496 0.77 LMNA (0.41) GAAALDH1A1MAOBHPGDHSD17B10
SCHEMBL5324357 0.77 ESR1 (0.43) ALDH1A1MAOBMAPK1HPGDHSD17B10
SCHEMBL511124 0.77 KDM4E (0.38) GAAALDH1A1TSHRMAOBHPGD
SCHEMBL769225 0.74
SCHEMBL314750 0.72 EGFR (0.47) ALDH1A1MAOBMAPK1HPGDHSD17B10
SCHEMBL4417646 0.71
SCHEMBL5535370 0.68 AHR (0.50) GAAALDH1A1TSHRMAPK1HPGD
SCHEMBL5963207 0.67 ALDH1A1 (0.58) GAAALDH1A1TSHRMAOBMAPK1
SCHEMBL9454247 0.67 PTPRS (0.32)
SCHEMBL7234572 0.67 ATM (0.38) CYP2A6ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209030-A Compounds for stabilizing ryanodine receptors from aberrant levels of calcium release UNIV ROSALIND FRANKLIN MEDICINE & SCIENCE 2015-12-30 CN claimed
CN-101990433-A Compounds that enhance atoh-1 expression BRIGHAM & WOMENS HOSPITAL 2011-03-23 CN claimed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US claimed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP claimed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 WO claimed
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP claimed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US claimed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP claimed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
CN-117377478-A Methods and compositions for regenerating hair cells in the inner ear of an adult mammal 麻省眼耳科医院 2024-01-09 CN disclosed
CN-110078659-B Isopimaric acid heterocyclic acylhydrazone derivative and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2022-06-07 CN disclosed
CN-112359018-A Methods and compositions for regenerating hair cells and/or supporting cells 麻省眼耳医院 2021-02-12 CN disclosed
CN-104869987-B Methods and compositions for regenerating hair cells and/or supporting cells 麻省眼耳医院 2020-10-16 CN disclosed
CN-105209030-B For stablizing the compound that blue Buddhist nun's alkali receptor makes it from the calcium release of abnormal level 罗莎琳德富兰克林医科大学 2018-06-12 CN disclosed
US-20070208022-A1 HIV INHIBITING 5-CARBO- OR HETEROCYCLYL SUBSTITUTED PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-09-06 US disclosed
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP disclosed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US disclosed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO disclosed
US-5886185-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS DEVELOPMENT CENTER FOR BIOTECHNOLOY (TW) 1999-03-23 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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 GAA 1200/4885ALDH1A1 1419/4885TSHR 3054/4885
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 GAA 1721/4885ALDH1A1 2657/4885TSHR 519/4885
US-20070208022-A1 HIV INHIBITING 5-CARBO- OR HETEROCYCLYL SUBSTITUTED PYRIMIDINES CCNO, COX6C, CCR6 GAA 4754/4885ALDH1A1 3126/4885TSHR 2612/4885

“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.