Sugi Predict

Sugi Predict / Compounds / SCHEMBL403016

SCHEMBL403016

SCHEMBL403016

FC(F)Oc1c[c]ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 5/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ HTT P42858 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTR1E P28566 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL406464 0.84 MAPT (0.35) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL900766 0.81 DRD1 (0.30) —
SCHEMBL446382 0.80 CSNK2A1 (0.40) MEN1KMT2ALMNAS1PR3
SCHEMBL900876 0.79 KMT2A (0.34) KMT2AHTTSMN1; SMN2
SCHEMBL1066799 0.78 PDE2A (0.33) ALDH1A1MAPTMEN1KMT2A
SCHEMBL18036608 0.77 RORC (0.43) —
SCHEMBL19611112 0.76 — —
SCHEMBL1065162 0.76 — —
SCHEMBL1067719 0.76 — —
SCHEMBL1062938 0.74 PDE4B (0.36) ALDH1A1MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993583-A Substituted pyrazolo [4,3-b ] pyridines and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 — — CN claimed
CN-109071488-B Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators 詹森药业有限公司 2021-08-13 — — CN claimed
CN-109071488-A Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator 詹森药业有限公司 2018-12-21 — — CN claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 — — EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 — — US claimed
CN-113993583-A Substituted pyrazolo [4,3-b ] pyridines and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 — — CN disclosed
CN-109071488-B Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators 詹森药业有限公司 2021-08-13 — — CN disclosed
CN-109071488-A Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator 詹森药业有限公司 2018-12-21 — — CN disclosed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 — — EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 — — EP disclosed
US-9167817-B2 Process using Grignard reagents BASF SE (DE) 2015-10-27 — — US disclosed
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 — — US disclosed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 — — US disclosed
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-09 — — US disclosed
CN-101902914-A Azolylmethyloxiranes, use thereof and compositions comprising same BASF SE 2010-12-01 — — CN disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 — — US disclosed
EP-2235005-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 — — EP disclosed
US-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-08-19 — — US disclosed
WO-2009077500-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 — — 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 (5 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-20100210466-A1 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES DDT, HPD, CYP4B1 ALDH1A1 115/4885MAPT 2974/4885MEN1 4657/4885
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 ALDH1A1 20/4885MAPT 3389/4885MEN1 1724/4885
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 ALDH1A1 14/4885MAPT 3863/4885MEN1 1585/4885
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES DDT, HPD, THOP1 ALDH1A1 111/4885MAPT 2441/4885MEN1 4406/4885
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, DAO, DHODH ALDH1A1 25/4885MAPT 3819/4885MEN1 1626/4885

“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.