Sugi Predict

Sugi Predict / Compounds / SCHEMBL322870

SCHEMBL322870

SCHEMBL322870

COc1ncccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.55
▸ NFE2L2 Q16236 5/20 0.54
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HTR1A P08908 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ APLNR P35414 1/20 0.43

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
SCHEMBL30440802 1.00 SLC22A12 (0.55) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL25407823 0.86 SLC22A12 (0.47) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL77689 0.82 SLC22A12 (0.46) SLC22A12NFE2L2APLNR
SCHEMBL2387153 0.81 SLC22A12 (0.46) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL8989529 0.80 ALDH1A1 (0.46) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL30503590 0.79 ALDH1A1 (0.43) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL11972428 0.78 APLNR (0.46) SLC22A12NFE2L2APLNR
SCHEMBL15677613 0.78 SLC22A12 (0.44) SLC22A12NFE2L2ALDH1A1MAPTATM
SCHEMBL25023658 0.78 SLC22A12 (0.44) SLC22A12NFE2L2APLNR
SCHEMBL19002316 0.78 SSTR4 (0.51) SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111244543-A High-voltage lithium ion battery electrolyte additive, electrolyte, battery and formation method thereof 松山湖材料实验室 2020-06-05 — — CN claimed
US-20250059181-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2025-02-20 — — US disclosed
CN-116640158-A Fluoro sulfonyl difluoro acetic acid metal salt complex, preparation method and application thereof 上海应用技术大学 2023-08-25 — — CN disclosed
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 — — CN disclosed
CN-110845490-B 2-acylaminothiazole derivative or salt thereof 旭飞药业股份有限公司 2023-03-28 — — CN disclosed
US-20220267318-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2022-08-25 — — US disclosed
US-RE49111-E1 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2022-06-21 — — US disclosed
US-20210177995-A1 RADIOLABELLED mGluR2 PET LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-17 — — US disclosed
CN-107722148-B Solid polyaluminoxane composition, catalyst for olefin polymerization, and method for producing olefin polymer 三井化学株式会社 2021-06-08 — — CN disclosed
CN-112625028-A Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2021-04-09 — — CN disclosed
WO-2012004299-A1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-01-12 — — WO disclosed
WO-2011059021-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 — — WO disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 — — US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 — — US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 — — US disclosed
EP-1811845-A4 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORP (US) 2009-07-15 — — EP disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 — — US disclosed
EP-1811845-A2 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2007-08-01 — — EP disclosed
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-05-25 — — US disclosed
WO-2006042289-A2 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-20 — — 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-20220267318-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS SLC22A12 3730/4885NFE2L2 1909/4885ALDH1A1 1379/4885
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 SLC22A12 2601/4885NFE2L2 2881/4885ALDH1A1 204/4885
US-20250059181-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS SLC22A12 3730/4885NFE2L2 1909/4885ALDH1A1 1379/4885
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues PIGS, GPR52, GPR174 SLC22A12 572/4885NFE2L2 1694/4885ALDH1A1 882/4885
US-20210177995-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 SLC22A12 242/4885NFE2L2 3927/4885ALDH1A1 4518/4885

“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.