Sugi Predict

Sugi Predict / Compounds / SCHEMBL111419

SCHEMBL111419

SCHEMBL111419

CC(C)(C)c1cccc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.60
▸ TSHR P16473 1/20 0.60
▸ CYP3A4 P08684 3/20 0.52
▸ RECQL P46063 2/20 0.52
▸ CASP1 P29466 2/20 0.52
▸ HDAC4 P56524 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ KIF11 P52732 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ ACHE P22303 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL29403060 1.00 MAPK1 (0.60) MAPK1TSHRCYP3A4RECQLCASP1
Hydrochloric Acid SCHEMBL10829559 0.98 MAPK1 (0.58) MAPK1TSHRCYP3A4RECQLCASP1
Acetic Acid SCHEMBL4631457 0.88 RXRA (0.49) MAPK1TSHRCYP3A4RECQLCASP1
SCHEMBL13483896 0.87 KIF11 (0.58) MAPK1TSHRCYP3A4RECQLCASP1
SCHEMBL29374282 0.85 TSHR (0.60) MAPK1TSHRCYP3A4RECQLCASP1
SCHEMBL125232 0.85 TSHR (0.60) MAPK1TSHRCYP3A4RECQLCASP1
SCHEMBL31476400 0.85 TSHR (0.60) MAPK1TSHRCYP3A4RECQLCASP1
SCHEMBL26185691 0.84 TSHR (0.65) MAPK1TSHRCYP3A4RECQLCASP1
SCHEMBL3142063 0.83 TSHR (0.64) MAPK1TSHRCYP3A4RECQLCASP1
SCHEMBL203901 0.83 TSHR (0.58) MAPK1TSHRCYP3A4RECQLCASP1

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 1444 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117926001-A Carbonyl acid extractant for extracting and separating germanium 有研资源环境技术研究院(北京)有限公司 2024-04-26 — — CN claimed
CN-117820187-A Application of ten-core 3d-4f supermolecule nano cage material in catalyzing three-component aza-Darzens reaction 兰州大学 2024-04-05 — — CN claimed
CN-117820165-A Application of ten-core 3d-4f supermolecule nano cage material in catalyzing three-component Strecker reaction 兰州大学 2024-04-05 — — CN claimed
CN-113444125-B Phosphoramidite ligand, preparation method thereof and application thereof in asymmetric carbonylation reaction 西北大学 2024-01-26 — — CN claimed
CN-114058422-B Mannich ashless dispersant and preparation method thereof 中国石油天然气股份有限公司 2022-08-05 — — CN claimed
CN-114057916-A Preparation method of antioxidant ashless dispersant for lubricating oil 中国石油天然气股份有限公司 2022-02-18 — — CN claimed
CN-114058422-A Mannich ashless dispersant and preparation method thereof 中国石油天然气股份有限公司 2022-02-18 — — CN claimed
CN-112592344-B Indolo [2,3-b ] indole derivative and synthetic method thereof 湘潭大学 2021-12-10 — — CN claimed
CN-113444125-A Novel phosphoramidite ligand, preparation method thereof and application thereof in asymmetric carbonylation reaction 西北大学 2021-09-28 — — CN claimed
CN-112592344-A Indolo [2,3-b ] indole derivative and synthetic method thereof 湘潭大学 2021-04-02 — — CN claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 — — US claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 — — US claimed
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 — — US claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 — — EP claimed
EP-1996578-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 — — EP claimed
US-20080244963-A1 Lead-Free Aviation Fuel TOTAL FRANCE (FR) 2008-10-09 — — US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 — — WO claimed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 — — WO claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 — — WO claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS MAPK1 467/4885TSHR 3649/4885CYP3A4 4544/4885
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MAPK1 1130/4885TSHR 995/4885CYP3A4 1324/4885
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases PHKG1, MAP3K20, CDK2 MAPK1 147/4885TSHR 3579/4885CYP3A4 3642/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPK1 33/4885TSHR 3572/4885CYP3A4 4667/4885

“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.