SCHEMBL360054

SCHEMBL360054

CC(CNC(=O)O)C1=NN(CC2CCCCC2)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
LIPE Q05469 1/20 0.35
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
POLB P06746 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
P2RY14 Q15391 1/20 0.32
CYP2C19 P33261 1/20 0.32
RORC P51449 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL360686 0.99 KMT2A (0.35) KMT2AMEN1LIPECYP2D6SMN1; SMN2
SCHEMBL360882 0.90 MEN1 (0.41) KMT2AMEN1LIPECYP2D6SMN1; SMN2
SCHEMBL359943 0.88 KMT2A (0.39) KMT2AMEN1LIPESMN1; SMN2ALDH1A1
SCHEMBL15344560 0.77 KMT2A (0.31) KMT2ACNR1CNR2
SCHEMBL15344559 0.77 CNR1 (0.36) LIPEALDH1A1PLA2G1BNPSR1ATG4B
SCHEMBL360055 0.77 KMT2A (0.34) KMT2AMEN1SMN1; SMN2ALDH1A1PLA2G1B
SCHEMBL15344566 0.75 CNR1 (0.34) ALDH1A1PLA2G1BNPSR1ATG4BCNR1
SCHEMBL15344567 0.75
SCHEMBL360687 0.75 KMT2A (0.32) KMT2AMEN1ALDH1A1PLA2G1BNPSR1
SCHEMBL360213 0.73 KMT2A (0.39) KMT2AMEN1CYP2D6SMN1; SMN2ALDH1A1

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 16 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
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 (11 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 3975/4885LIPE 4018/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A KMT2A 2238/4885MEN1 3975/4885LIPE 4018/4885

“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.