SCHEMBL359249

SCHEMBL359249

CN(CC1=NN(Cc2ccccc2)C(=O)C1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
THRB P10828 1/20 0.56
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.43
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 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
SCHEMBL360621 0.87 KMT2A (0.46) ALDH1A1GAATHRBNPC1RAB9A
SCHEMBL10079932 0.85 HTR2C (0.50) ALDH1A1GAATHRBNPC1RAB9A
SCHEMBL14916841 0.82 ALDH1A1 (0.50) ALDH1A1GAATHRBNPC1RAB9A
SCHEMBL360068 0.77 CNR2 (0.33) NPC1KMT2A
SCHEMBL361729 0.76 ALDH1A1 (0.47) ALDH1A1GAATHRBKDM4ELMNA
SCHEMBL359796 0.76 LMNA (0.34) ALDH1A1GAATHRBRAB9AHPGD
SCHEMBL361566 0.75 KMT2A (0.35) ALDH1A1NPC1KMT2AKDM4EPDE4B
SCHEMBL358852 0.75
SCHEMBL27925581 0.74 ALDH1A1 (0.53) ALDH1A1GAATHRBHPGDKDM4E
SCHEMBL359186 0.74 ALDH1A1 (0.51) ALDH1A1GAATHRBKDM4ELMNA

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-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
CN-103097357-A Pyrazole compound DAINIPPON SUMITOMO PHARMA CO 2013-05-08 CN 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 2035/4885GAA 4858/4885THRB 424/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885THRB 424/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885THRB 424/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885THRB 424/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885THRB 424/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885THRB 424/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885THRB 424/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885THRB 424/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885THRB 424/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ALDH1A1 2035/4885GAA 4858/4885THRB 424/4885

“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.