SCHEMBL359250

SCHEMBL359250

O=C(O)NCCC1=NN(Cc2ccccc2)C(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
THRB P10828 2/20 0.56
GAA P10253 1/20 0.56
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PLAAT5 Q96KN8 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL14953110 0.88 POLB (0.46) ALDH1A1THRBGAATP53POLB
SCHEMBL27925581 0.77 ALDH1A1 (0.53) ALDH1A1THRBGAATP53KDM4E
SCHEMBL360069 0.77 MEN1 (0.32) THRBTP53POLBKMT2A
SCHEMBL360133 0.76 THRB (0.32) ALDH1A1THRBGAATP53POLB
SCHEMBL360469 0.75 KMT2A (0.37) ALDH1A1KDM4EPOLBKMT2ALMNA
SCHEMBL361730 0.75 THRB (0.49) ALDH1A1THRBGAATP53KDM4E
SCHEMBL361567 0.75 POLB (0.35) KDM4EPOLBKMT2A
SCHEMBL359249 0.74 ALDH1A1 (0.56) ALDH1A1THRBGAAKDM4EPTGDR2
SCHEMBL14953161 0.74 POLB (0.31) ALDH1A1THRBGAATP53POLB
SCHEMBL360190 0.74 THRB (0.33) ALDH1A1THRBGAAPOLBKMT2A

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 12 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-10723703-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-28 US disclosed
US-20190084938-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2019-03-21 US disclosed
US-10183913-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-22 US disclosed
US-10087146-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-10-02 US disclosed
US-20180273489-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2018-09-27 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-20140315971-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2014-10-23 US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 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 (10 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 ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885THRB 424/4885GAA 4858/4885

“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.