SCHEMBL17844192

SCHEMBL17844192

CCOC(=O)c1cnn(-c2cc(Cl)ccc2Cl)c1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.69
RAB9A P51151 5/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 2/20 0.59
TSHR P16473 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 6/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 4/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49

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
SCHEMBL31117084 0.91 HTT (0.69) HTTRAB9AALDH1A1HPGDTSHR
SCHEMBL14692483 0.89 HTT (0.68) HTTRAB9AALDH1A1HPGDTSHR
SCHEMBL17844073 0.88 HTT (0.69) HTTRAB9AALDH1A1HPGDTSHR
SCHEMBL13131101 0.85 ALDH1A1 (0.69) HTTRAB9AALDH1A1HPGDTSHR
SCHEMBL6527991 0.83 ALDH1A1 (0.81) HTTRAB9AALDH1A1HPGDTSHR
SCHEMBL31117093 0.82 HTT (1.00) HTTRAB9AALDH1A1HPGDTSHR
SCHEMBL10340638 0.82 HTT (1.00) HTTRAB9AALDH1A1HPGDTSHR
SCHEMBL6314266 0.82 KMT2A (0.56) HTTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10655728 0.81 HTT (0.67) HTTRAB9AALDH1A1HPGDTSHR
SCHEMBL31117068 0.81 HTT (0.77) HTTRAB9AALDH1A1HPGDTSHR

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 4224/4885RAB9A 481/4885ALDH1A1 448/4885

“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.