Sugi Predict

Sugi Predict / Compounds / SCHEMBL10033207

SCHEMBL10033207

SCHEMBL10033207

Cc1cc(C)c(OCCN2CCNC2=O)c(C)c1C#[N+][O-]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.36
▸ SCN9A Q15858 3/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCN5A Q14524 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL18932729 1.00 BRD4 (0.36) BRD4SCN9APDK2KMT2AMEN1
SCHEMBL17612729 0.89 PDK2 (0.36) BRD4SCN9APDK2KMT2AMEN1
SCHEMBL30229597 0.85 ALK (0.40) BRD4SCN9APDK2KMT2AMEN1
SCHEMBL18344266 0.85 ALK (0.40) BRD4SCN9APDK2KMT2AMEN1
SCHEMBL23254131 0.84 THRB (0.41) KMT2AMEN1P2RY12HTR2A
SCHEMBL14950441 0.82 KMT2A (0.40) BRD4SCN9APDK2KMT2AMEN1
SCHEMBL22969290 0.81 P2RY12 (0.30) P2RY12
SCHEMBL18533579 0.79 KMT2A (0.34) KMT2AMEN1SMN1; SMN2POLBRAB9A
SCHEMBL14947217 0.78 KMT2A (0.39) SCN9AKMT2AMEN1SMN1; SMN2POLB
SCHEMBL18533588 0.77 SCN9A (0.36) BRD4SCN9APDK2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4010380-B1 COMPOSITION BASED ON AT LEAST ONE COMPOUND HAVING AN N-SUBSTITUTED IMIDAZOLIDINONE FUNCTION MICHELIN & CIE (FR) 2023-10-04 — — EP disclosed
EP-3902791-B1 NOVEL NITROGENOUS DIPOLE COMPOUNDS COMPRISING CYCLIC CARBONATE FUNCTIONS MICHELIN & CIE (FR) 2023-02-08 — — EP disclosed
EP-3313823-B1 METHOD FOR SYNTHESIZING MOLECULES HAVING A NITRILE OXIDE FUNCTION MICHELIN & CIE (FR) 2022-11-09 — — EP disclosed
CN-114901728-A Master batch made of modified polymer and organophosphorus additive and preparation method thereof 米其林集团总公司 2022-08-12 — — CN disclosed
US-11370866-B2 Method for producing a diene elastomer modified with a 1,3-dipolar compound COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2022-06-28 — — US disclosed
CN-110088188-B Process for preparing diene elastomers modified with 1, 3-dipolar compounds 米其林集团总公司 2022-01-18 — — CN disclosed
CN-110088189-B Process for preparing diene elastomers modified with 1, 3-dipole compounds by reactive extrusion 米其林集团总公司 2021-08-13 — — CN disclosed
WO-2021130430-A1 MASTERBATCH MADE FROM A MODIFIED POLYMER AND AN ORGANOPHOSPHORUS ADDITIVE AND METHOD FOR PRODUCING SAME COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-07-01 — — WO disclosed
EP-3648988-B1 COMPOSITION ON THE BASIS OF AT LEAST ONE SPECIFIC POLYAROMATIC COMPOUND MICHELIN & CIE (FR) 2021-04-21 — — EP disclosed
US-20210102022-A1 METHOD FOR PRODUCING A DIENE ELASTOMER MODIFIED WITH A 1,3-DIPOLAR COMPOUND BY MEANS OF REACTIVE EXTRUSION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-04-08 — — US disclosed
WO-2016012258-A1 RUBBER COMPOSITION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-01-28 — — WO disclosed
WO-2016012258-A1 RUBBER COMPOSITION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-01-28 — — WO disclosed
US-20150322183-A1 HEAVY GOODS VEHICLE TIRE COMPRISING A TREAD BASED ON A MODIFIED POLYISOPRENE, PROCESS FOR PREPARING SAME MICHELIN RECHERCHE ET TECHNIQUE, S.A. (CH) 2015-11-12 — — US disclosed
US-9045432-B2 Nitrile oxide, nitrone, and nitrile imine compounds ARKEMA FRANCE (FR) 2015-06-02 — — US disclosed
WO-2014090756-A1 HEAVY GOODS VEHICLE TYRE COMPRISING A TREAD BASED ON A MODIFIED POLYISOPRENE, PROCESS FOR PREPARING SAME COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2014-06-19 — — WO disclosed
US-20130197237-A1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2013-08-01 — — US disclosed
US-20130131279-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED Mchelin Recherche et Technique S.A. (CH) 2013-05-23 — — US disclosed
US-20130123418-A1 RUBBER COMPOSITION CONTAINING A MODIFED ELASTOMER, METHOD FOR PREPARING SAME, AND TIRE CONTAINING SAME MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2013-05-16 — — US disclosed
WO-2012007441-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2012-01-19 — — WO disclosed
WO-2012007442-A1 RUBBER COMPOSITION CONTAINING A MODIFIED ELASTOMER, METHOD FOR PREPARING SAME, AND TIRE CONTAINING SAME SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2012-01-19 — — 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 (1 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-20130197237-A1 MOLECULES HAVING COMBINABLE GROUPS NCAPH, NCL, PARG BRD4 103/4885SCN9A 4260/4885PDK2 3939/4885

“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.