SCHEMBL16030502

SCHEMBL16030502

O=C(O)/C=C/c1ccc(-c2ncn(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ ADAM17 P78536 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PPARD Q03181 4/20 0.45
▸ PPARA Q07869 4/20 0.45
▸ CYP1A1 P04798 5/20 0.43
▸ CYP1B1 Q16678 5/20 0.43
▸ MAOB P27338 3/20 0.43
▸ PPARG P37231 3/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ P4HB P07237 1/20 0.42
▸ ESR1 P03372 2/20 0.40

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
SCHEMBL16030504 1.00 HDAC1 (0.46) HDAC1HDAC3ADAM17HDAC2HDAC10
SCHEMBL16030289 0.85 IP6K1 (0.48) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL16030292 0.85 IP6K1 (0.48) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL16074572 0.84 CA2 (0.44) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL16073127 0.84 CYP1A1 (0.47) HDAC1HDAC3ADAM17HDAC2HDAC10
SCHEMBL16112263 0.84 CYP1A1 (0.47) HDAC1HDAC3ADAM17HDAC2HDAC10
SCHEMBL16030407 0.84 KCNJ1 (0.42) HDAC1HDAC3ADAM17HDAC2HDAC10
SCHEMBL16030643 0.84 IP6K1 (0.40) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL2743376 0.79 UBE2N (0.42) HDAC1HDAC6
SCHEMBL16046625 0.79 ABCG2 (0.45) —

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 — — EP disclosed
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2018-02-15 — — US disclosed
US-9834547-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-12-05 — — US disclosed
US-9783532-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 — — US disclosed
US-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-06-29 — — US disclosed
US-20160096831-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-04-07 — — US disclosed
US-9278964-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-08 — — US disclosed
US-9249133-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2016-02-02 — — US disclosed
US-20150225391-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2015-08-13 — — US disclosed
US-9029560-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2015-05-12 — — US disclosed
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 — — US 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 (7 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-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3114/4885HDAC3 3080/4885ADAM17 1184/4885
US-20160096831-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3114/4885HDAC3 3080/4885ADAM17 1184/4885
US-20150225391-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3114/4885HDAC3 3080/4885ADAM17 1184/4885
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3114/4885HDAC3 3080/4885ADAM17 1184/4885
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3114/4885HDAC3 3080/4885ADAM17 1184/4885
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3114/4885HDAC3 3080/4885ADAM17 1184/4885
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3114/4885HDAC3 3080/4885ADAM17 1184/4885

“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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