SCHEMBL17844103

SCHEMBL17844103

CCOC(=O)c1cnn(-c2c(Cl)cccc2Cl)c1N

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
ALDH1A1 P00352 4/20 0.67
HPGD P15428 3/20 0.67
RAB9A P51151 4/20 0.63
TSHR P16473 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 5/20 0.61
TP53 P04637 2/20 0.61
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 6/20 0.56
LMNA P02545 2/20 0.54
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL10655728 0.87 HTT (0.67) HTTALDH1A1HPGDRAB9ATSHR
SCHEMBL8343589 0.87 HTT (0.56) HTTALDH1A1HPGDRAB9ATSHR
SCHEMBL14692488 0.86 HTT (0.66) HTTALDH1A1HPGDRAB9ATSHR
SCHEMBL13131101 0.86 ALDH1A1 (0.69) HTTALDH1A1HPGDRAB9ATSHR
SCHEMBL29804250 0.84 HTT (0.64) HTTALDH1A1HPGDRAB9ATSHR
SCHEMBL14692586 0.84 HTT (0.64) HTTALDH1A1HPGDRAB9ATSHR
SCHEMBL10514609 0.83 NPC1 (0.66) HTTALDH1A1HPGDRAB9ATSHR
SCHEMBL10340638 0.82 HTT (1.00) HTTALDH1A1HPGDRAB9ATSHR
SCHEMBL31117093 0.82 HTT (1.00) HTTALDH1A1HPGDRAB9ATSHR
SCHEMBL9211791 0.82 NPC1 (0.63) HTTALDH1A1HPGDRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107105657-B Molecules having pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-03-03 CN disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
EP-3232788-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-10-25 EP disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 WO disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 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 (1 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-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 HTT 4224/4885ALDH1A1 448/4885HPGD 1163/4885

“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.