SCHEMBL16031280

SCHEMBL16031280

CC(C)(C)c1ccccc1NC(N)=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.58
▸ GRIN3B O60391 1/20 0.58
▸ GRIN1 Q05586 1/20 0.58
▸ GRIN2A Q12879 1/20 0.58
▸ GRIN2B Q13224 1/20 0.58
▸ GRIN2C Q14957 1/20 0.58
▸ GRIN3A Q8TCU5 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58
▸ GAA P10253 3/20 0.57
▸ ALOX12 P18054 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ KMT2A Q03164 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALDH1A1 P00352 7/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL26294925 0.82 GAA (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5032627 0.82 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1136068 0.82 P2RY1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1605118 0.81 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29838402 0.81 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7225372 0.79 GAA (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7593748 0.79 L3MBTL1 (0.71) GAAALOX12POLBKMT2AL3MBTL1
SCHEMBL12163530 0.78 GAA (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25199206 0.78 CA2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20980809 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 14 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
WO-2021087408-A1 OTIC FORMULATIONS FOR DRUG-INDUCED OTOTOXICITY OTONOMY, INC. (US) 2021-05-06 — — WO 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 GRIN2D 4489/4885GRIN3B 4806/4885GRIN1 4677/4885
US-20160096831-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GRIN2D 4489/4885GRIN3B 4806/4885GRIN1 4677/4885
US-20150225391-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GRIN2D 4489/4885GRIN3B 4806/4885GRIN1 4677/4885
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GRIN2D 4489/4885GRIN3B 4806/4885GRIN1 4677/4885
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GRIN2D 4489/4885GRIN3B 4806/4885GRIN1 4677/4885
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GRIN2D 4489/4885GRIN3B 4806/4885GRIN1 4677/4885
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GRIN2D 4489/4885GRIN3B 4806/4885GRIN1 4677/4885

“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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