SCHEMBL4855773

SCHEMBL4855773

CC(C)(C)c1ccccc1OCC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
NAMPT P43490 1/20 0.57
KDM4E B2RXH2 5/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 4/20 0.54
GAA P10253 3/20 0.54
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.46
TRPV1 Q8NER1 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 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
SCHEMBL29755017 1.00 NPSR1 (0.57) NPSR1NAMPTKDM4EHTTALDH1A1
SCHEMBL5000594 0.84 NPSR1 (0.67) NPSR1NAMPTKDM4EHTTALDH1A1
SCHEMBL7898212 0.83 NPSR1 (0.57) NPSR1NAMPTKDM4EHTTALDH1A1
SCHEMBL10154342 0.81 NPSR1 (0.59) NPSR1NAMPTKDM4EHTTALDH1A1
SCHEMBL9060206 0.81 NPSR1 (0.56) NPSR1NAMPTKDM4EHTTALDH1A1
SCHEMBL5362778 0.81 HTT (0.71) NPSR1KDM4EHTTALDH1A1GAA
SCHEMBL11466585 0.80 TDP1 (0.58) NPSR1NAMPTKDM4EHTTALDH1A1
SCHEMBL30301257 0.80 NPSR1 (0.55) NPSR1NAMPTKDM4EHTTALDH1A1
SCHEMBL10257400 0.80 NPSR1 (0.55) NPSR1NAMPTKDM4EHTTALDH1A1
SCHEMBL16072904 0.80 ALDH1A1 (0.58) NPSR1NAMPTKDM4EALDH1A1GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773206-B Synthesis method of o-tert-butylaniline 安徽皓元药业有限公司 2024-01-26 CN disclosed
CN-114773206-A Synthesis method of o-tert-butylaniline 安徽皓元药业有限公司 2022-07-22 CN disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
WO-1998003533-A1 ANTISENSE OLIGONUCLEOTIDES AS ANTIBACTERIAL AGENTS OLIGOS ETC. AND OLIGOS THERAPEUTICS, INC. (US) 1998-01-29 WO 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-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A NPSR1 364/4885NAMPT 2251/4885KDM4E 3541/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 NPSR1 74/4885NAMPT 1926/4885KDM4E 4010/4885

“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.