SCHEMBL193613

SCHEMBL193613

CCCOc1nc2sc(Cl)cc2c(=O)n1CCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.47
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE7A Q13946 1/20 0.33

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
SCHEMBL7966994 0.94 USP2 (0.41) USP2MAPK1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7979203 0.93 MAPK1 (0.40) USP2MAPK1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7979242 0.89 L3MBTL1 (0.38) USP2MAPK1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7966894 0.87 SMN1; SMN2 (0.39) USP2MAPK1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7978878 0.87 MEN1 (0.38) USP2ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL194662 0.85 USP2 (0.47) USP2MAPK1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7095466 0.85 USP2 (0.36) USP2MAPK1
SCHEMBL7664876 0.83 ADORA1 (0.34) USP2ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7665387 0.82 ALDH1A1 (0.33) USP2ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7980615 0.81 PDE5A (0.39) ALDH1A1SMN1; SMN2CYP1A2CYP2C9LMNA

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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105670-A1 FUNGICIDAL MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-29 — — US claimed
EP-2086319-A1 FUNGICIDAL MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-08-12 — — EP claimed
WO-2008060611-A1 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-22 — — WO claimed
EP-1511380-B1 MIXTURES OF FUSED PYRIMIDINONES AND DINITROPHENOLIC COMPOUNDS USEFUL FOR CONTROLLING POWDERY MILDEWS DU PONT (US) 2006-10-18 — — EP claimed
US-20050239805-A1 Mixtures of fused pyrimidinones and dinitrophenolic compounds useful for controlling powdery mildews E. I. DU PONT DE NEMOURS AND COMPANY 2005-10-27 — — US claimed
EP-0888359-B1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE SYNGENTA PARTICIPATIONS AG (CH) 2002-05-02 — — EP claimed
EP-0888359-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE Novartis AG (CH) 1999-01-07 — — EP claimed
WO-1997033890-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE NOVARTIS AG (CH) 1997-09-18 — — WO claimed
EP-3529246-B1 OXADIAZOLES HAVING FUNGICIDAL ACTIVITY FMC CORP (US) 2023-10-18 — — EP disclosed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 — — US disclosed
EP-3529246-A1 FUNGICIDAL OXADIAZOLES FMC Corporation (US) 2019-08-28 — — EP disclosed
WO-2018080859-A1 FUNGICIDAL OXADIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-03 — — WO disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 — — US disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 — — EP disclosed
EP-1087939-A1 PROCESS FOR PREPARATION OF PYRIMIDINONE DERIVATIVES Syngenta Participations AG (CH) 2001-04-04 — — EP disclosed
EP-1053229-A1 CONDENSED 4-THIOXOPYRIMIDINE DERIVATIVES AS MICROBICIDES Novartis AG (CH) 2000-11-22 — — EP disclosed
WO-1999067202-A1 PROCESS FOR PREPARATION OF PYRIMIDINONE DERIVATIVES SYNGENTA PARTICIPATIONS AG . (CH) 1999-12-29 — — WO disclosed
WO-1999040074-A1 CONDENSED 4-THIOXOPYRIMIDINE DERIVATIVES AS MICROBICIDES NOVARTIS AG (CH) 1999-08-12 — — WO disclosed
EP-0888359-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE Novartis AG (CH) 1999-01-07 — — EP disclosed
WO-1997033890-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE NOVARTIS AG (CH) 1997-09-18 — — 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 (3 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-20100105670-A1 FUNGICIDAL MIXTURES DEGS1, GMDS, Q6ZSR9 USP2 3188/4885MAPK1 2257/4885ALDH1A1 988/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 USP2 4390/4885MAPK1 2750/4885ALDH1A1 2185/4885
US-20050239805-A1 Mixtures of fused pyrimidinones and dinitrophenolic compounds useful for controlling powdery mildews CBR3, CBR1, C9 USP2 4370/4885MAPK1 2860/4885ALDH1A1 2263/4885

“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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