SCHEMBL104062

SCHEMBL104062

CC(C)Nc1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
TDP1 Q9NUW8 4/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 2/20 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
SCHEMBL16429615 0.85 IDO1 (0.53) IDO1TDP1GABRA1GABRB2HPGD
SCHEMBL2204567 0.84 GABRA1 (0.43) IDO1TDP1GABRA1GABRB2HPGD
SCHEMBL2962223 0.82 TDP1 (0.57) IDO1TDP1HPGDMAPTKMT2A
SCHEMBL16961898 0.80 TDP1 (0.60) IDO1TDP1HPGDGAAMAPT
SCHEMBL11411652 0.79 IDO1 (0.79) IDO1GAAALDH1A1
SCHEMBL4229462 0.79 TSHR (0.48) IDO1TDP1GABRA1GABRB2HPGD
SCHEMBL1028965 0.77 SGMS2 (0.43) IDO1TDP1GABRA1GABRB2HPGD
SCHEMBL5323369 0.77 HPGD (0.49) TDP1HPGDGAAMAPTKMT2A
SCHEMBL10762934 0.77 ALDH1A1 (0.49) IDO1TDP1GABRA1GABRB2HPGD
SCHEMBL11576066 0.77 SGMS2 (0.43) IDO1TDP1GABRA1GABRB2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242944-B2 Potent analogues of the C-Myc inhibitor 10074-G5 with improved cell permeability UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-01-26 US disclosed
CN-105102451-A N-phenyl-carboxamide derivatives and their use as medicaments for the treatment of hepatitis b JANSSEN R & D IRELAND 2015-11-25 CN disclosed
US-20140296307-A1 POTENT ANALOGUES OF THE C-MYC INHIBITOR 10074-G5 WITH IMPROVED CELL PERMEABILITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-02 US disclosed
US-8653273-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-02-18 US disclosed
US-8563588-B2 Imidazolone derivatives, method for the preparation thereof and biological applications UNIVERSITE DE RENNES 1 (FR) 2013-10-22 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20110077381-A1 NOVEL NPR-B AGONISTS ALCON RESEARCH, LTD. (US) 2011-03-31 US disclosed
US-6214954-B1 HOMO OR COPOLYMERIZING AN OLEFIN WITH POLYMERIZATION CATALYST COMPRISING A TRANSITION METAL COMPOUND, CYCLOPENTADIENYL RING CONTAINING LIGAND AND A CHELATING LIGAND, PRODUCES POLYMER WITH NARROW MOLECULAR WEIGHT DISTRIBUTION AND UNIFORMITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-04-10 US disclosed
EP-0798313-B1 OLEFIN POLYMERIZATION CATALYST ASAHI CHEMICAL IND (JP) 2001-03-21 EP disclosed
CN-1169736-A Catalyst for olefin polymerization ASAHI CHEMICAL IND (JP) 1998-01-07 CN disclosed
EP-0798313-A1 OLEFIN POLYMERIZATION CATALYST Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-10-01 EP disclosed
EP-0427572-B1 Process for preparing N-alkylaminophenols and N,N-dialkylaminophenols SUMITOMO CHEMICAL CO (JP) 1994-04-27 EP disclosed
EP-0411817-B1 Process for preparing N-alkyl-substituted aminophenols SUMITOMO CHEMICAL CO (JP) 1994-04-06 EP disclosed
US-5276193-A Reductive alkylation, addition of carboxylic acid to prevent by-product formation SUMITOMO CHEMICAL CO., LTD. (JP) 1994-01-04 US disclosed
US-5202485-A Catalytic reductive alkylation of aminophenol using aldehyde or ketone SUMITOMO CHEMICAL CO., LTD. (JP) 1993-04-13 US disclosed
EP-0427572-A1 Process for preparing N-alkylaminophenols and N,N-dialkylaminophenols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-15 EP disclosed
EP-0411817-A2 Process for preparing N-alkyl-substituted aminophenols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-02-06 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 (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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 IDO1 3443/4885TDP1 3967/4885GABRA1 762/4885
US-20110077381-A1 NOVEL NPR-B AGONISTS NPR1, NPR3, NPBWR1 IDO1 1680/4885TDP1 3361/4885GABRA1 318/4885
US-20140296307-A1 POTENT ANALOGUES OF THE C-MYC INHIBITOR 10074-G5 WITH IMPROVED CELL PERMEABILITY MYC, MYCBP, MKI67 IDO1 3214/4885TDP1 3756/4885GABRA1 2956/4885

“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.