SCHEMBL950878

SCHEMBL950878

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 7/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CASP1 P29466 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TTR P02766 1/20 0.39
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.38
POLB P06746 2/20 0.38
ESR1 P03372 1/20 0.38
PKM P14618 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
SCHEMBL18510 0.79 PKM (0.54) ALDH1A1KDM4EHSD17B10GAASMN1; SMN2
SCHEMBL2322010 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL574266 0.77 NPC1 (0.60) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL10203515 0.75 CNR1 (0.46) ALDH1A1KDM4EHSD17B10GAASMN1; SMN2
SCHEMBL2321521 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL12321735 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL12321704 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL31696577 0.72 KDM4E (0.43) ALDH1A1KDM4EHSD17B10GAASMN1; SMN2
SCHEMBL13698759 0.72 KDM4E (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21719114 0.72 TP53 (0.31)

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-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 US 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 238/4885KDM4E 1084/4885HSD17B10 1372/4885
US-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 ALDH1A1 187/4885KDM4E 858/4885HSD17B10 1364/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT ALDH1A1 436/4885KDM4E 2028/4885HSD17B10 619/4885

“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.