SCHEMBL17536294

SCHEMBL17536294

CCCc1ccc(C)cc1N(C(=O)CCl)C(N)=S

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ PAX8 Q06710 3/20 0.38
▸ TP53 P04637 3/20 0.38
▸ GPX4 P36969 1/20 0.38
▸ HTT P42858 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ LDHA P00338 1/20 0.30
▸ LDHB P07195 1/20 0.30
▸ MAPT P10636 1/20 0.30

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 0.82 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1PAX8TP53
SCHEMBL17536308 0.81 HCRTR1 (0.38) ALDH1A1RAB9ANPC1PAX8TP53
SCHEMBL17536300 0.78 HPGD (0.47) ALDH1A1PAX8HTTMEN1KMT2A
SCHEMBL13091040 0.67 LDHA (0.34) ALDH1A1SMN1; SMN2MEN1KMT2ALDHA
SCHEMBL28135229 0.65 ICMT (0.41) ALDH1A1RAB9AHTTLDHALDHB
SCHEMBL17536348 0.65 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1PAX8TP53
SCHEMBL17536329 0.65 ALDH1A1 (0.35) ALDH1A1RAB9ANPC1PAX8TP53
SCHEMBL17536256 0.64 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1HTTSMN1; SMN2
SCHEMBL18586458 0.64 SRC (0.36) RAB9ANPC1HTTMEN1KMT2A
SCHEMBL22067721 0.64 MAPK8 (0.39) ALDH1A1RAB9ANPC1MEN1KMT2A

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 238/4885RAB9A 449/4885NPC1 3002/4885

“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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