SCHEMBL360171

SCHEMBL360171

CC(C1CCCC1)N1N=C(CCNC(=O)O)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.35
LIPE Q05469 1/20 0.33
ATM Q13315 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL361218 0.99 EPHX2 (0.37) EPHX2LIPEATMHDAC3HDAC4
SCHEMBL360012 0.85 EPHX2 (0.33) EPHX2ATMCYP3A4CYP2C19TSHR
SCHEMBL360170 0.78 L3MBTL1 (0.33) SMN1; SMN2KMT2A
SCHEMBL27925651 0.77 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL360469 0.77 KMT2A (0.37) EPHX2POLBALDH1A1KMT2AMEN1
SCHEMBL14916515 0.77 EPHX2 (0.31) EPHX2SMN1; SMN2ALDH1A1
SCHEMBL361217 0.77 L3MBTL1 (0.35) LIPEATMTSHRSMN1; SMN2NPC1
SCHEMBL27925590 0.76 ALDH1A1 (0.32) CYP3A4CYP2C19TSHRGAAALDH1A1
SCHEMBL360213 0.76 KMT2A (0.39) EPHX2SMN1; SMN2POLBALDH1A1TDP1
SCHEMBL14916960 0.76 EPHX2 (0.32) EPHX2LIPEATMCYP2C19NPC1

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 13 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-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 (8 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 EPHX2 2396/4885LIPE 4018/4885ATM 3217/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A EPHX2 2396/4885LIPE 4018/4885ATM 3217/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A EPHX2 2396/4885LIPE 4018/4885ATM 3217/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A EPHX2 2396/4885LIPE 4018/4885ATM 3217/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A EPHX2 2396/4885LIPE 4018/4885ATM 3217/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A EPHX2 2396/4885LIPE 4018/4885ATM 3217/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A EPHX2 2396/4885LIPE 4018/4885ATM 3217/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A EPHX2 2396/4885LIPE 4018/4885ATM 3217/4885

“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.