SCHEMBL16041491

SCHEMBL16041491

CC(C)c1ccccc1N(N)C(N)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ FAAH O00519 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ HTR2B P41595 1/20 0.38

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
SCHEMBL16041249 0.76 HRH4 (0.43) HTTMAPT
SCHEMBL1520893 0.75 SIGMAR1 (0.43) SIGMAR1LMNACYP3A4TSHRALDH1A1
SCHEMBL27873162 0.74 LMNA (0.38) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL16043535 0.74 ADRA2A (0.41) CA1CA2HPGDBLMALDH1A1
SCHEMBL15153125 0.73 GABRA1 (0.37) GABRA1GABRB2SIGMAR1GABRG2GABRB3
SCHEMBL19046926 0.72 GABRA1 (0.41) GABRA1GABRB2SIGMAR1GABRG2GABRB3
SCHEMBL9627587 0.72 SIGMAR1 (0.42) GABRA1GABRB2SIGMAR1GABRG2GABRB3
SCHEMBL17536348 0.72 ALDH1A1 (0.41) GABRA1GABRB2SIGMAR1LMNAALDH1A1
SCHEMBL29530885 0.71 GABRA1 (0.50) GABRA1GABRB2SIGMAR1GABRG2GABRB3
SCHEMBL16041473 0.70 ALDH1A1 (0.41) GABRA1GABRB2SIGMAR1LMNAALDH1A1

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 19 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
EP-4144739-A1 ANELLATED PYRAZOLES AS PARASITICIDES Bayer Aktiengesellschaft (DE) 2023-03-08 — — EP disclosed
US-20220289691-A1 5-AMINO-SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-09-15 — — US disclosed
EP-4036083-A1 5-OXY SUBSTITUTED HETEROCYCLES AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-08-03 — — EP disclosed
EP-3974414-A1 5-AMINO SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PESTICIDES Bayer AG (DE) 2022-03-30 — — EP disclosed
WO-2022053453-A1 AZOLE CARBOXAMIDE AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-03-17 — — 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
EP-2970176-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2016-01-20 — — EP 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
WO-2014160031-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 — — WO 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
US-20140275524-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 GABRA1 2511/4885GABRB2 2177/4885SIGMAR1 3708/4885
US-20220289691-A1 5-AMINO-SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PEST CONTROL AGENTS API5, AAAS, AADAC GABRA1 855/4885GABRB2 1273/4885SIGMAR1 2965/4885
US-20160096831-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GABRA1 2511/4885GABRB2 2177/4885SIGMAR1 3708/4885
US-20150225391-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GABRA1 2511/4885GABRB2 2177/4885SIGMAR1 3708/4885
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GABRA1 2511/4885GABRB2 2177/4885SIGMAR1 3708/4885
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GABRA1 2511/4885GABRB2 2177/4885SIGMAR1 3708/4885
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GABRA1 2511/4885GABRB2 2177/4885SIGMAR1 3708/4885

“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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