SCHEMBL950617

SCHEMBL950617

CC(C)n1nc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.46
GRN P28799 3/20 0.44
SORT1 Q99523 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CARM1 Q86X55 6/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
KCNT1 Q5JUK3 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL30961174 0.87 GRN (0.41) KLKB1GRNSORT1KDM4EGAA
SCHEMBL5061899 0.85 GRN (0.62) GRNSORT1KDM4EGAAALDH1A1
SCHEMBL22637645 0.85 KLKB1 (0.44) KLKB1GRNSORT1KDM4EALDH1A1
SCHEMBL12559873 0.80 KLKB1 (0.41) KLKB1GRNSORT1KDM4EALDH1A1
SCHEMBL17920 0.77 GRN (0.71) KLKB1GRNSORT1KDM4EALDH1A1
SCHEMBL17224919 0.77 L3MBTL1 (0.44) KLKB1GAAALDH1A1POLB
Hydrochloric Acid SCHEMBL8932269 0.76 GRN (0.69) KLKB1GRNSORT1KDM4EALDH1A1
SCHEMBL30961231 0.75 GRN (0.42) KLKB1GRNSORT1KDM4EGAA
SCHEMBL25435322 0.75 ALDH1A1 (0.60) GRNSORT1KDM4EGAAALDH1A1
SCHEMBL3670839 0.75 ALDH1A1 (0.44) GRNSORT1KDM4EGAAALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350176-B1 Method for preparing pyrazolecarboxylic acid and derivatives NISSAN CHEMICAL IND LTD (JP) 1995-08-30 EP claimed
EP-0350176-A2 Method for preparing pyrazolecarboxylic acid and derivatives NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1990-01-10 EP claimed
CN-101287721-B Hydrazide compound and pesticidal use of the same SUMITOMO CO LTD 2013-03-27 CN disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
EP-1937664-B1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-06-15 EP disclosed
EP-1937664-B1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-06-15 EP disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 US disclosed
US-7867949-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-11 US disclosed
EP-2251336-A1 Hydrazide compounds as intermediates of pesticides Sumitomo Chemical Company, Limited (JP) 2010-11-17 EP disclosed
EP-2251336-A1 Hydrazide compounds as intermediates of pesticides Sumitomo Chemical Company, Limited (JP) 2010-11-17 EP disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 US disclosed
CN-101287721-A Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL CO (JP) 2008-10-15 CN disclosed
EP-1937664-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 WO disclosed
EP-0350176-B1 Method for preparing pyrazolecarboxylic acid and derivatives NISSAN CHEMICAL IND LTD (JP) 1995-08-30 EP disclosed
US-5202442-A Process for preparing pyrazolecarboxylic acid compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1993-04-13 US disclosed
US-5053517-A PROCESS FOR PREPARING PYRAZOLECARBOXYLIC ACID COMPOUNDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-10-01 US 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-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 KLKB1 3821/4885GRN 4817/4885SORT1 4826/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT KLKB1 3971/4885GRN 4722/4885SORT1 4772/4885

“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.