SCHEMBL17536308

SCHEMBL17536308

Cc1ccc(Cl)c(N(C(=O)CCl)C(N)=S)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ RAB9A P51151 7/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ PAX8 Q06710 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GPX4 P36969 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ HPGD P15428 2/20 0.32

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
SCHEMBL17536328 0.87 ALDH1A1 (0.38) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL17536300 0.82 HPGD (0.47) HCRTR1HCRTR2ALDH1A1PAX8HTT
SCHEMBL17536294 0.81 ALDH1A1 (0.38) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11427097 0.73 HCRTR1 (0.38) HCRTR1HCRTR2RAB9AALDH1A1NPC1
SCHEMBL17536329 0.71 ALDH1A1 (0.35) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL9516465 0.69 HCRTR1 (0.42) HCRTR1HCRTR2RAB9AALDH1A1NPC1
SCHEMBL17536348 0.69 ALDH1A1 (0.41) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL19483171 0.65 FSCN1 (0.40) HCRTR1HCRTR2RAB9ANPC1HTT
SCHEMBL20708217 0.65 FSCN1 (0.56) HCRTR1HCRTR2RAB9AALDH1A1NPC1
SCHEMBL17536268 0.65 ALDH1A1 (0.56) RAB9AALDH1A1NPC1PAX8TP53

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 4 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-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

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 HCRTR1 2205/4885HCRTR2 3201/4885RAB9A 449/4885

“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.

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