Sugi Predict

Sugi Predict / Compounds / SCHEMBL10080903

SCHEMBL10080903

SCHEMBL10080903

CCOC(=O)C1=NN(Cc2ccccc2)C(=O)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.64
▸ ALDH1A1 P00352 8/20 0.59
▸ THRB P10828 1/20 0.59
▸ MAPT P10636 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ LMNA P02545 1/20 0.48
▸ TRPC5 Q9UL62 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ L3MBTL1 Q9Y468 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
SCHEMBL14608264 0.89 GAA (0.54) GAAALDH1A1THRBMAPTKDM4E
SCHEMBL18300868 0.85 GAA (0.59) GAAALDH1A1THRBMAPTKDM4E
SCHEMBL15111667 0.83 GAA (0.59) GAAALDH1A1THRBMAPTKDM4E
SCHEMBL9173226 0.80 GAA (0.56) GAAALDH1A1THRBMAPTKDM4E
SCHEMBL3407816 0.78 GAA (1.00) GAAALDH1A1MAPTKDM4ENPC1
Methyl Alcohol SCHEMBL11812087 0.77 GAA (0.97) GAAALDH1A1MAPTKDM4ENPC1
SCHEMBL964206 0.75 ALDH1A1 (1.00) GAAALDH1A1THRBMAPTKDM4E
SCHEMBL1757930 0.75 PDE4B (0.52) GAAALDH1A1THRBMAPTKDM4E
SCHEMBL11209344 0.74 GAA (0.51) GAAALDH1A1MAPTKDM4ENPC1
SCHEMBL11861072 0.73 GAA (0.70) GAAALDH1A1MAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312688-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-26 — — US disclosed
US-20200308119-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2020-10-01 — — US disclosed
US-10183913-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-22 — — US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 — — US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 — — US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 — — US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 — — US disclosed
EP-2594559-B1 PYRAZOLE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-24 — — EP disclosed
US-20140315971-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2014-10-23 — — US disclosed
US-20140315971-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2014-10-23 — — US disclosed
US-8809383-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-08-19 — — US disclosed
US-8809383-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-08-19 — — US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 — — US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 — — US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 — — US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 — — US disclosed
EP-2594559-A1 PYRAZOLE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 — — EP disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 — — US disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 — — US disclosed
WO-2012008528-A1 PYRAZOLE COMPOUND 大日本住友製薬株式会社 (JP) 2012-01-19 — — 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 (7 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-20140315971-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A GAA 4858/4885ALDH1A1 2035/4885THRB 424/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A GAA 4858/4885ALDH1A1 2035/4885THRB 424/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A GAA 4858/4885ALDH1A1 2035/4885THRB 424/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A GAA 4858/4885ALDH1A1 2035/4885THRB 424/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A GAA 4858/4885ALDH1A1 2035/4885THRB 424/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A GAA 4858/4885ALDH1A1 2035/4885THRB 424/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A GAA 4858/4885ALDH1A1 2035/4885THRB 424/4885

“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.