SCHEMBL3567286

SCHEMBL3567286

NCc1ccc(N)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
MAPT P10636 3/20 0.71
GAA P10253 2/20 0.71
MEN1 O00255 1/20 0.71
POLB P06746 1/20 0.71
RAB9A P51151 1/20 0.71
KMT2A Q03164 1/20 0.71
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP3A4 P08684 1/20 0.52
ABAT P80404 1/20 0.48
ENPP2 Q13822 1/20 0.46
ADRA2A P08913 2/20 0.45
DRD2 P14416 2/20 0.45
DRD1 P21728 2/20 0.45
DRD4 P21917 2/20 0.45
DRD5 P21918 2/20 0.45
SLC6A2 P23975 2/20 0.45
MAPK1 P28482 2/20 0.45
DRD3 P35462 2/20 0.45

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 SCHEMBL3574208 0.98 MAPT (0.68) KDM4EMAPTGAAMEN1POLB
SCHEMBL436819 0.83 MAPT (1.00) KDM4EMAPTGAAMEN1POLB
SCHEMBL30350976 0.83 MAPT (1.00) KDM4EMAPTGAAMEN1POLB
SCHEMBL9008928 0.83 KDM4E (0.74) KDM4EMAPTGAAMEN1POLB
SCHEMBL29871296 0.83 MAPT (1.00) KDM4EMAPTGAAMEN1POLB
SCHEMBL10409135 0.82 TAAR1 (0.69) KDM4EMAPTGAAMEN1POLB
SCHEMBL2342680 0.81 KDM4E (0.71) KDM4EMAPTGAAMEN1POLB
Hydrochloric Acid SCHEMBL21173968 0.81 MAPT (0.95) KDM4EMAPTGAAMEN1POLB
SCHEMBL14081605 0.81 ENPP2 (0.52) KDM4EMAPTGAAMEN1POLB
SCHEMBL110644 0.80 KDM4E (0.67) KDM4EMAPTGAAMEN1POLB

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
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives PROCTER & GAMBLE COMPANY, THE 2007-01-25 US claimed
WO-2007010463-A2 2-AMINO-5-AMINOMETHYL-PHENOL DERIVATIVES AND AGENT FOR COLORING KERATIN FIBERS COMPRISING THESE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-01-25 WO claimed
EP-1746088-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives Wella Aktiengesellschaft (DE) 2007-01-24 EP claimed
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 EP disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 CN disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives PROCTER & GAMBLE COMPANY, THE 2007-01-25 US disclosed
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives PROCTER & GAMBLE COMPANY, THE 2007-01-25 US disclosed
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives PROCTER & GAMBLE COMPANY, THE 2007-01-25 US disclosed
EP-1746088-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives Wella Aktiengesellschaft (DE) 2007-01-24 EP disclosed
EP-1746088-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives Wella Aktiengesellschaft (DE) 2007-01-24 EP disclosed
EP-1746088-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives Wella Aktiengesellschaft (DE) 2007-01-24 EP disclosed
EP-0293091-B1 POLY(AMIDE-BENZAZOLES) MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-01-13 EP disclosed
US-4816554-A HEAT RESISTANT POLYMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-03-28 US disclosed
EP-0293091-A1 Poly(amide-benzazoles) MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-30 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 (2 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 KDM4E 2158/4885MAPT 4095/4885GAA 3488/4885
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives KRT18, ALDH7A1, MKI67 KDM4E 160/4885MAPT 1080/4885GAA 4618/4885

“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.