SCHEMBL360067

SCHEMBL360067

O=C(O)NCCC1=NN(CCC2CCCC2)C(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
METAP2 P50579 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.33
EPHX2 P34913 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
CYP2D6 P10635 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 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
SCHEMBL360190 0.95 THRB (0.33) RORCKMT2APOLBALDH1A1ITGB3
SCHEMBL360469 0.88 KMT2A (0.37) KMT2AMEN1POLBALDH1A1EPHX2
SCHEMBL360213 0.87 KMT2A (0.39) KMT2AMEN1POLBALDH1A1EPHX2
SCHEMBL361567 0.86 POLB (0.35) KMT2AMEN1POLBEPHX2CYP2D6
SCHEMBL360069 0.83 MEN1 (0.32) KMT2AMEN1POLBITGB3ITGA2B
SCHEMBL359738 0.80 THRB (0.35) POLBALDH1A1LMNATP53THRB
SCHEMBL361730 0.78 THRB (0.49) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL14953033 0.78 THRB (0.32) POLBTHRB
SCHEMBL27925621 0.77 L3MBTL1 (0.33) RORCALDH1A1SMN1; SMN2
SCHEMBL360133 0.76 THRB (0.32) POLBALDH1A1TP53THRB

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 RORC 657/4885KMT2A 2238/4885MEN1 3975/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A RORC 657/4885KMT2A 2238/4885MEN1 3975/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A RORC 657/4885KMT2A 2238/4885MEN1 3975/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A RORC 657/4885KMT2A 2238/4885MEN1 3975/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A RORC 657/4885KMT2A 2238/4885MEN1 3975/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A RORC 657/4885KMT2A 2238/4885MEN1 3975/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A RORC 657/4885KMT2A 2238/4885MEN1 3975/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A RORC 657/4885KMT2A 2238/4885MEN1 3975/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A RORC 657/4885KMT2A 2238/4885MEN1 3975/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A RORC 657/4885KMT2A 2238/4885MEN1 3975/4885

“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.