SCHEMBL458226

SCHEMBL458226

Cc1c[c]cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.60
ACHE P22303 2/20 0.52
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP19A1 P11511 1/20 0.41
CYP3A4 P08684 3/20 0.41
LMNA P02545 2/20 0.39
GPR35 Q9HC97 2/20 0.39
HTT P42858 2/20 0.39
VCAM1 P19320 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NFE2L2 Q16236 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL76146 0.83 CYP19A1 (0.57) TSHRACHEHSD17B10ALDH1A1TDP1
SCHEMBL28747028 0.79 ACHE (0.52) TSHRACHEHSD17B10ALDH1A1TDP1
SCHEMBL16960541 0.77 SMN1; SMN2 (0.44) TSHRACHEHSD17B10ALDH1A1TDP1
SCHEMBL635130 0.75 TSHR (0.90) TSHRACHEHSD17B10ALDH1A1TDP1
SCHEMBL1097495 0.75 TSHR (1.00) TSHRACHEHSD17B10ALDH1A1TDP1
SCHEMBL9627250 0.74 ALDH1A1 (0.54) TSHRHSD17B10ALDH1A1TDP1CYP19A1
SCHEMBL5771776 0.73 CYP19A1 (0.41) TSHRHSD17B10ALDH1A1TDP1CYP19A1
SCHEMBL16952363 0.73 ALDH1A1 (0.52) TSHRHSD17B10ALDH1A1TDP1CYP19A1
SCHEMBL11238325 0.73 ALDH1A1 (0.52) TSHRALDH1A1TDP1CYP19A1CYP3A4
SCHEMBL4157259 0.73 LMNA (0.43) TSHRACHEHSD17B10ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP claimed
CN-1282641-C Novel naphthylsulfonic acids and related compounds as glucose uptake agonists TELIK INC (US) 2006-11-01 CN claimed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 WO claimed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 CN disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
CN-104326952-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
CN-104277004-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
US-20040029928-A1 Novel propenohydroxamic acid derivatives WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 US disclosed
EP-1314721-A1 NOVEL PROPENOHYDROXAMIC ACID DERIVATIVES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
EP-1142857-A1 PROCESSES FOR PRODUCING ACRYLIC ACID DERIVATIVE NIPPON SODA CO., LTD. (JP) 2001-10-10 EP disclosed
CN-1015458-B PROCESS FOR PREPARING HETEROCYCLIC COMPOUNDS WYETH & BROS LTD JOHN (GB) 1992-02-12 CN disclosed
US-4052509-A 5-METHYL-1-PHENYL-2-(1H)-PYRIDONE AFFILIATED MEDICAL RESEARCH, INC. (US) 1977-10-04 US disclosed
US-4042699-A 5-METHYL-1-PHENYL-2-(1H)-PYRIDONE AFFILIATED MEDICAL RESEARCH, INC. (US) 1977-08-16 US disclosed
US-3974281-A ANALGESICS, ANTI-PYRETIC AND ANTI-INFLAMMATORY AGENTS AFFILIATED MEDICAL RESEARCH, INC. (US) 1976-08-10 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 (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-20040029928-A1 Novel propenohydroxamic acid derivatives TNF, SI, HDGF TSHR 1046/4885ACHE 4592/4885HSD17B10 540/4885
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 TSHR 1666/4885ACHE 3150/4885HSD17B10 2656/4885

“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.