SCHEMBL17536300

SCHEMBL17536300

COc1ccc(C)cc1N(C(=O)CCl)C(N)=S

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CTNNB1 P35222 2/20 0.39
▸ WNT3A P56704 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37

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 0.83 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL17536308 0.82 HCRTR1 (0.38) HPGDKMT2AMEN1HCRTR1HCRTR2
SCHEMBL11037197 0.79 MAPT (0.51) HPGDKMT2AMEN1HCRTR1HCRTR2
SCHEMBL17536294 0.78 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL17536323 0.76 ALDH1A1 (0.42) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9128425 0.74 ACHE (0.48) HPGDKMT2AMEN1ACHECTNNB1
SCHEMBL6114258 0.70 HPGD (0.51) HPGDKMT2AMEN1ACHECTNNB1
SCHEMBL24177014 0.68 TUBB4A (0.60) HPGDKMT2AMEN1ACHECTNNB1
SCHEMBL31239086 0.68 ALDH1A1 (0.49) HPGDKMT2AMEN1ACHECTNNB1
SCHEMBL28678688 0.66 ALDH1A1 (0.53) HPGDKMT2AMEN1ACHEALDH1A1

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 HPGD 817/4885KMT2A 2890/4885MEN1 832/4885

“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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