SCHEMBL4592760

SCHEMBL4592760

C#CCOc1cc(N)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.43
▸ MAOA P21397 5/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAOB P27338 4/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ TACR2 P21452 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR6 P50406 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
SCHEMBL6729801 0.87 MAOA (0.43) PGK1MAOALMNAMAOBHTR2C
SCHEMBL8877380 0.84 MAOA (0.56) PGK1MAOALMNAMAOBHTR2C
SCHEMBL8877557 0.84 MAOB (0.41) PGK1MAOALMNAMAOBHTR2C
SCHEMBL8878658 0.83 ALOX5AP (0.39) MAOAHTR2CHTR2ANR1I2ADRA2A
SCHEMBL6736259 0.83 PGK1 (0.44) PGK1MAOALMNAMAOBHTR2C
SCHEMBL29901582 0.82 NR1I2 (0.44) PGK1MAOAHTR2CHTR2ANR1I2
SCHEMBL8602249 0.82 NR1I2 (0.44) PGK1MAOAHTR2CHTR2ANR1I2
Hydrochloric Acid SCHEMBL6831304 0.81 PGK1 (0.43) PGK1MAOALMNAMAOBHTR2C
SCHEMBL9271367 0.80 PGK1 (0.43) PGK1MAOALMNAMAOBHTR2C
SCHEMBL8877452 0.80 MAOB (0.38) MAOALMNAMAOBHTR2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 — — EP claimed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 — — EP claimed
CN-113200985-B Pteridinone compound and preparation method and application thereof 南开大学 2022-09-09 — — CN disclosed
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 — — US disclosed
CN-112442036-A Novel purinone and imidazotriazinone derivatives having anti-glioma activity 南开大学 2021-03-05 — — CN disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 — — US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 — — US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 — — US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 — — US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 — — US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 — — US disclosed
EP-0070389-B1 2-(2-FLUORO-4-HALO-5-SUBSTITUTED PHENYL) HYDANTOINS, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-02 — — EP disclosed
EP-0061741-B1 TETRAHYDROPHTHALIMIDES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-18 — — EP disclosed
US-4484941-A Tetrahydrophthalimides, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-27 — — US disclosed
US-4452981-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-06-05 — — US disclosed
US-4437877-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-03-20 — — US disclosed
US-4427438-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-24 — — US disclosed
EP-0075267-A1 4-(2-Fluoro-4-halo-5-substituted phenyl)urazols, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-03-30 — — EP disclosed
EP-0070389-A2 2-(2-Fluoro-4-halo-5-substituted phenyl) hydantoins, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-01-26 — — EP disclosed
EP-0061741-A2 Tetrahydrophthalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-06 — — EP 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-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT PGK1 2090/4885MAOA 1540/4885LMNA 4763/4885
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides PRXL2A, NIT2, NAT1 PGK1 2111/4885MAOA 808/4885LMNA 4671/4885
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 PGK1 2519/4885MAOA 765/4885LMNA 4565/4885

“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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