SCHEMBL17536328

SCHEMBL17536328

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.38
▸ HTT P42858 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ TP53 P04637 3/20 0.36
▸ PAX8 Q06710 2/20 0.36
▸ GPX4 P36969 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ POLB P06746 1/20 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
SCHEMBL17536308 0.87 HCRTR1 (0.38) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL17536300 0.83 HPGD (0.47) ALDH1A1HTTPAX8KDM4EMAPT
SCHEMBL17536294 0.82 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL17536323 0.75 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2RAB9ALMNA
SCHEMBL4074003 0.70 SMN1; SMN2 (0.39) ALDH1A1HTTSMN1; SMN2LMNATP53
SCHEMBL17536348 0.70 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL17536329 0.70 ALDH1A1 (0.35) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL13091077 0.64 MAPT (0.52) ALDH1A1SMN1; SMN2LMNATP53KDM4E
SCHEMBL10363554 0.64 ALOX5 (0.41) ALDH1A1HTTGAATDP1POLB
SCHEMBL6037567 0.64 KDR (0.42) ALDH1A1HTTNPC1LMNATP53

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 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.

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