SCHEMBL360213

SCHEMBL360213

O=C(O)NCCC1=NN(CC2CCCCC2)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 2/20 0.39
EPHX2 P34913 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TRPA1 O75762 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL360469 0.99 KMT2A (0.37) KMT2AMEN1POLBEPHX2CYP2D6
SCHEMBL361567 0.96 POLB (0.35) KMT2AMEN1POLBEPHX2CYP2D6
SCHEMBL360069 0.93 MEN1 (0.32) KMT2AMEN1POLB
SCHEMBL360067 0.87 RORC (0.36) KMT2AMEN1POLBEPHX2CYP2D6
SCHEMBL14953072 0.85 P2RX7 (0.32)
SCHEMBL360190 0.82 THRB (0.33) KMT2APOLBALDH1A1
SCHEMBL361218 0.78 EPHX2 (0.37) KMT2AMEN1POLBEPHX2CYP2D6
SCHEMBL14953141 0.78 OPRM1 (0.34) KMT2AMEN1POLBEPHX2ALDH1A1
SCHEMBL27925593 0.77 LMNA (0.33) ALDH1A1LMNATRPA1
SCHEMBL360171 0.76 EPHX2 (0.35) KMT2AMEN1POLBEPHX2ALDH1A1

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 15 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
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-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
EP-2594559-A1 PYRAZOLE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP 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 KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885POLB 4307/4885

“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.