SCHEMBL3477004

SCHEMBL3477004

Oc1ccccc1NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.64
KDM4E B2RXH2 6/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
HSD17B10 Q99714 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSP90AA1 P07900 1/20 0.43
PPIA P62937 1/20 0.42

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 SCHEMBL11008586 0.98 IDO1 (0.62) IDO1KDM4EGAAMAPTNPC1
SCHEMBL5173169 0.98 IDO1 (0.61) IDO1KDM4EGAAMAPTNPC1
SCHEMBL28306051 0.90 IDO1 (0.50) IDO1KDM4EGAAMAPTNPC1
SCHEMBL4495740 0.85 KDM4E (0.73) IDO1KDM4EGAAMAPTNPC1
SCHEMBL29449726 0.85 KDM4E (0.73) IDO1KDM4EGAAMAPTNPC1
SCHEMBL11523761 0.85 KDM4E (0.73) IDO1KDM4EGAAMAPTNPC1
SCHEMBL20336230 0.85 KDM4E (0.73) IDO1KDM4EGAAMAPTNPC1
SCHEMBL16961159 0.83 IDO1 (0.54) IDO1KDM4EGAAMAPTNPC1
SCHEMBL11521138 0.83 KDM4E (0.69) IDO1KDM4EGAAMAPTNPC1
SCHEMBL11034755 0.82 IDO1 (0.81) IDO1KDM4EGAAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008514598-A 2008-05-08 JP claimed
EP-1794106-A1 SULFONATED PHENOLS WITH NITROPHENOLS AS POLYMERIZATION INHIBITORS Chemtura Corporation (US) 2007-06-13 EP claimed
WO-2006036274-A1 SULFONATED PHENOLS WITH NITROPHENOLS AS POLYMERIZATION INHIBITORS CHEMTURA CORPORATION (US) 2006-04-06 WO claimed
US-8691813-B2 Indole and benzoxazine derivatives as modulators of metabotropic glutamate receptors Janssen Pharmaceuticals, Inc. (US) 2014-04-08 US disclosed
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Janssen Pharmaceuticals, Inc. 2012-02-09 US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO disclosed
CN-100357258-C Production of keto acids CIBA SC HOLDING AG (CH) 2007-12-26 CN disclosed
CN-1301962-C Production of keto acids CIBA SC HOLDING AG (CH) 2007-02-28 CN disclosed
CN-1575274-A Production of keto acids CIBA SC HOLDING AG (CH) 2005-02-02 CN disclosed
US-20040242891-A1 Production of keto acids CAMPBELL JONATHAN (GB) 2004-12-02 US disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 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-0411817-A2 Process for preparing N-alkyl-substituted aminophenols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-02-06 EP disclosed
EP-0181505-B1 IMPROVED METHOD FOR PRODUCING CYCLOALKYL AMINOPHENOL DERIVATIVES KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1990-03-28 EP disclosed
US-4713488-A REACTING AMINOPHENOLS AND CYCLOALKANONES IN THE PRESENCE OF A REDUCING AGENT KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1987-12-15 US disclosed
US-4695630-A Cycloacetals BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0191345-A2 Cycloacetals, process for their preparation and their use in the preparation of azalactones BAYER AG (DE) 1986-08-20 EP disclosed
EP-0181505-A1 Improved method for producing cycloalkyl aminophenol derivatives KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1986-05-21 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-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM5, GRIA2 IDO1 118/4885KDM4E 1942/4885GAA 3935/4885
US-20040242891-A1 Production of keto acids PKLR, KHK, ME1 IDO1 960/4885KDM4E 495/4885GAA 4000/4885

“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.