SCHEMBL18330127

SCHEMBL18330127

CCn1cc(C=O)c(C(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 4/20 0.34
NPC1 O15118 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
DUSP3 P51452 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 4/20 0.32
RECQL P46063 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
SCHEMBL24014930 0.84 SMN1; SMN2 (0.40) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL1586647 0.80 ALDH1A1 (0.33) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL16937261 0.80 RAB9A (0.30) SMN1; SMN2RAB9AL3MBTL1DUSP3
Hydrazine SCHEMBL28089137 0.77 ERN1 (0.31) HTTMAPTALDH1A1
SCHEMBL28821668 0.77 L3MBTL1 (0.36) SMN1; SMN2HTTL3MBTL1
SCHEMBL25618890 0.74 HTT (0.36) SMN1; SMN2HTTNPC1L3MBTL1KDM4E
SCHEMBL2513813 0.74 SMN1; SMN2 (0.61) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL26388989 0.74 HTT (0.33) SMN1; SMN2HTTNPC1L3MBTL1KDM4E
SCHEMBL24014929 0.74 SMN1; SMN2 (0.43) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL18464451 0.73 ALDH1A1 (0.48) SMN1; SMN2HTTRAB9ANPC1MAPT

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
EP-3312161-B1 METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF ZHEJIANG YONGTAI TECHNOLOGY CO LTD (CN) 2020-11-04 EP disclosed
EP-3312161-B1 METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF ZHEJIANG YONGTAI TECHNOLOGY CO LTD (CN) 2020-11-04 EP disclosed
CN-110511216-A Isoxazoline derivative and its application in agricultural DONGGUAN DONGYANGGUANG PESTICIDE RES AND DEVELOPMENT CO LTD 2019-11-29 CN disclosed
US-10407413-B2 Method for preparing pyrazolecarboxylic acid derivative, and intermediate thereof ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) 2019-09-10 US disclosed
US-10407413-B2 Method for preparing pyrazolecarboxylic acid derivative, and intermediate thereof ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) 2019-09-10 US disclosed
US-20180194753-A1 METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF ZHEJIANG YONGTAI TECHNOLOGY CO., LTD (CN) 2018-07-12 US disclosed
US-20180194753-A1 METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF ZHEJIANG YONGTAI TECHNOLOGY CO., LTD (CN) 2018-07-12 US disclosed
US-20180194753-A1 METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF ZHEJIANG YONGTAI TECHNOLOGY CO., LTD (CN) 2018-07-12 US disclosed
EP-3312161-A1 METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF Zhejiang Yongtai Technology Co., Ltd. (CN) 2018-04-25 EP disclosed
EP-3312161-A1 METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF Zhejiang Yongtai Technology Co., Ltd. (CN) 2018-04-25 EP disclosed
CN-104945325-B A kind of preparation method of pyrazole carboxylic acid derivant 浙江永太科技股份有限公司 2017-04-05 CN disclosed
CN-104945387-B Intermediate for preparing pyrazol formic acid derivative 浙江永太科技股份有限公司 2017-03-22 CN disclosed
WO-2016202254-A1 METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF 浙江永太科技股份有限公司 2016-12-22 WO disclosed
CN-104945325-A Preparation method for pyrazolecarboxylic acid derivative ZHEJIANG YONGTAI TECHNOLOGY CO LTD 2015-09-30 CN disclosed
CN-104945387-A Intermediate for preparing pyrazol formic acid derivative ZHEJIANG YONGTAI TECHNOLOGY CO LTD 2015-09-30 CN 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 (2 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-20180194753-A1 METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF CYP3A5, CYP3A43, PGD SMN1; SMN2 4615/4885HTT 3680/4885RAB9A 2508/4885
US-10407413-B2 Method for preparing pyrazolecarboxylic acid derivative, and intermediate thereof CYP3A5, CYP3A43, PGD SMN1; SMN2 4615/4885HTT 3680/4885RAB9A 2508/4885

“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.