SCHEMBL17536233

SCHEMBL17536233

COc1ccc(NC(=O)CCl)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
RAB9A P51151 2/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
CASP2 P42575 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL30293239 0.88 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL426569 0.88 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL6939799 0.88 P2RX7 (0.59) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL13368241 0.86 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL9525258 0.84 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL1494291 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL1494383 0.84 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL28817127 0.84 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL28713814 0.84 ALDH1A1 (0.60) ALDH1A1HTTMAPTKDM4EGAA
SCHEMBL15145872 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185685-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2017-07-05 EP disclosed
US-9469617-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2016-10-18 US disclosed
US-9469617-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2016-10-18 US disclosed
US-9469617-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2016-10-18 US disclosed
US-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 US disclosed
US-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 US disclosed
US-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 US disclosed
WO-2016033025-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 WO disclosed
WO-2016033025-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 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-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 238/4885HTT 4155/4885SMN1; SMN2 3702/4885

“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.