SCHEMBL1728940

SCHEMBL1728940

NC(=NC(=O)OCc1ccccc1)n1cccn1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.45
AOC3 Q16853 6/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL12287978 1.00 NOS1 (0.45) NOS1AOC3ALDH1A1
SCHEMBL12302147 0.84 ALDH1A1 (0.46) ALDH1A1
SCHEMBL14271350 0.81 ALDH1A1 (0.40) ALDH1A1
SCHEMBL5567091 0.80 POLB (0.43)
SCHEMBL670164 0.80 POLB (0.43)
SCHEMBL670165 0.80 POLB (0.43)
SCHEMBL15500843 0.79 L3MBTL1 (0.48) ALDH1A1
SCHEMBL6764370 0.75 SYK (0.41)
SCHEMBL6764374 0.75 SYK (0.41)
SCHEMBL3993457 0.75 ALDH1A1 (0.53) AOC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934561-B1 IMPROVED TIME/TEMPERATURE INDICATORS SUN CHEMICAL CORP (US) 2018-11-07 EP claimed
US-11935803-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-19 US disclosed
CN-112004845-B Resin composition, laminate, semiconductor wafer with resin composition layer, substrate, and semiconductor device 三菱瓦斯化学株式会社 2022-05-31 CN disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
US-20210277221-A1 RESIN COMPOSITION, LAMINATE, SEMICONDUCTOR WAFER WITH RESIN COMPOSITION LAYER, SUBSTRATE FOR MOUNTING SEMICONDUCTOR WITH RESIN COMPOSITION LAYER AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-09-09 US disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
EP-3786200-A1 RESIN COMPOSITION, LAMINATE, RESIN COMPOSITION LAYER-ATTACHED SEMICONDUCTOR WAFER, SUBSTRATE FOR MOUNTING RESIN COMPOSITION LAYER-ATTACHED SEMICONDUCTOR, AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-03 EP disclosed
CN-112004845-A Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer, and semiconductor device 三菱瓦斯化学株式会社 2020-11-27 CN disclosed
US-20200348307-A1 METHODS AND COMPOSITIONS FOR POLYPEPTIDE ANALYSIS Encodia, Inc. (US) 2020-11-05 US disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
EP-1568380-A1 PREVENTIVE OR REMEDY FOR DISEASES CAUSED BY HYPERGLYCEMIA Kissei Pharmaceutical Co., Ltd. (JP) 2005-08-31 EP disclosed
EP-1548024-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP disclosed
EP-1373216-B1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2004-12-15 EP disclosed
CN-1486301-A 4,5-dihydro-1h-pyrazole derivatives having cb1-antagonistic activity ������ҩ�����޹�˾ 2004-03-31 CN disclosed
EP-1373216-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-01-02 EP disclosed
EP-1373247-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF TANABE SEIYAKU CO., LTD. (JP) 2004-01-02 EP disclosed
US-6476060-B2 DRUG ABUSE; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; CARDIOVASCUALR DISORDERS SOLVAY PHARMACEUTICALS, B.V. (NL) 2002-11-05 US disclosed
WO-2002079189-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2002-10-10 WO disclosed
WO-2002076949-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2002-10-03 WO disclosed
US-20010053788-A1 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2001-12-20 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-20010053788-A1 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity CNR1, CNR2, CBR3 NOS1 3155/4885AOC3 772/4885ALDH1A1 527/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 NOS1 3763/4885AOC3 4694/4885ALDH1A1 2023/4885

“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.