SCHEMBL500129

SCHEMBL500129

[c]1ncc(-c2ccccc2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 8/20 0.38
NPC1 O15118 6/20 0.38
NOTUM Q6P988 2/20 0.37
KDR P35968 3/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ATM Q13315 2/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL4569991 0.79 CYP2A6 (0.52) ALOX15RAB9ANPC1ALDH1A1KDM4E
SCHEMBL511665 0.78 GAA (0.47) TSHRRAB9ANPC1ALDH1A1KDM4E
SCHEMBL2092228 0.78 METAP2 (0.34)
SCHEMBL17028958 0.77 TDO2 (0.42) ALOX15TSHRRAB9ANPC1NOTUM
SCHEMBL17028877 0.73 NOTUM (0.45) RAB9ANPC1NOTUMALDH1A1KDM4E
SCHEMBL9956189 0.71 NOTUM (0.38) RAB9ANPC1NOTUMALDH1A1KDM4E
SCHEMBL2751461 0.68 PDE4B (0.32) RAB9ANPC1L3MBTL1
SCHEMBL2752199 0.68 CYP1A2 (0.31) CYP2A6
Biphenyl SCHEMBL970549 0.61 ALDH1A1 (0.90) RAB9ANPC1NOTUMALDH1A1HSD17B10
SCHEMBL76097 0.61 CYP2E1 (0.58) ALOX15TSHRCASP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057642-A Hydrated porous material and method for preparing same 法国原子能源和替代能源委员会 2023-05-02 CN claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
EP-3853638-A1 CYCLOPHANES AS AGENTS FOR DISCRIMINATING BETWEEN NEUTRONS AND GAMMA RAYS IN A PLASTIC SCINTILLATOR Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2021-07-28 EP claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
EP-3436546-A1 PLASTIC SCINTILLATOR, DETECTOR, ASSOCIATED MANUFACTURING PROCESS AND SCINTILLATION MEASUREMENT PROCESS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2019-02-06 EP claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 WO claimed
CN-102249831-B New method for synthesizing 1,2,3-triaryl naphthalene derivatives UNIV BEIJING CHEMICAL 2015-04-08 CN claimed
WO-2005016267-A2 OXAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-02-24 WO claimed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US claimed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO claimed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US claimed
US-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US claimed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP claimed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 WO claimed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
WO-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed

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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B ALOX15 2193/4885TSHR 4550/4885CASP1 3037/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B ALOX15 2193/4885TSHR 4550/4885CASP1 3037/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS ALOX15 2330/4885TSHR 4605/4885CASP1 360/4885

“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.