SCHEMBL17536329

SCHEMBL17536329

CC(C)c1ccc(Cl)cc1N(C(=O)CCl)C(N)=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ HTT P42858 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ LMNA P02545 4/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ ALOX12 P18054 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALOX5 P09917 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
SCHEMBL17536348 0.82 ALDH1A1 (0.41) ALDH1A1HTTRAB9ANPC1PAX8
SCHEMBL17536308 0.71 HCRTR1 (0.38) ALDH1A1HTTRAB9ANPC1PAX8
SCHEMBL17536328 0.70 ALDH1A1 (0.38) ALDH1A1HTTRAB9ANPC1PAX8
SCHEMBL21725473 0.66 KMT2A (0.47) ALDH1A1HTTLMNATP53MEN1
SCHEMBL17536300 0.66 HPGD (0.47) ALDH1A1HTTPAX8MEN1POLB
SCHEMBL21725518 0.66 KDM4E (0.54) ALDH1A1HTTRAB9ALMNATP53
SCHEMBL28135905 0.65 SIRT1 (0.49) HTTSIRT1LMNATP53EPHX1
SCHEMBL17536294 0.65 ALDH1A1 (0.38) ALDH1A1HTTRAB9ANPC1PAX8
SCHEMBL24497524 0.63 PSEN1 (0.40) ALDH1A1
SCHEMBL17536226 0.63 SMN1; SMN2 (0.54) ALDH1A1HTTRAB9ANPC1LMNA

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 4155/4885RAB9A 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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