Sugi Predict

Sugi Predict / Compounds / SCHEMBL14947217

SCHEMBL14947217

SCHEMBL14947217

Cc1cc(C)c(NCCN2CCNC2=O)c(C)c1C#[N+][O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ SCN9A Q15858 3/20 0.33
▸ CREBBP Q92793 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL18533692 0.89 KMT2A (0.41) KMT2ARAB9AADORA2AADORA1ALDH1A1
SCHEMBL18533609 0.87 KMT2A (0.38) KMT2ARAB9AADORA2AADORA1ALDH1A1
SCHEMBL15806425 0.82 KMT2A (0.52) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL18533579 0.79 KMT2A (0.34) KMT2ARAB9AALDH1A1MEN1SMN1; SMN2
SCHEMBL18932729 0.78 BRD4 (0.36) KMT2ARAB9AALDH1A1MEN1SMN1; SMN2
SCHEMBL10033207 0.78 BRD4 (0.36) KMT2ARAB9AALDH1A1MEN1SMN1; SMN2
SCHEMBL19151228 0.72 KMT2A (0.53) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL17612729 0.67 PDK2 (0.36) KMT2ARAB9AALDH1A1MEN1SMN1; SMN2
SCHEMBL6284446 0.63 KMT2A (0.51) KMT2ARAB9AADORA2AADORA1ALDH1A1
SCHEMBL471729 0.62 ALDH1A1 (0.50) KMT2ARAB9AALDH1A1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380340-B1 RUBBER COMPOSITION MICHELIN & CIE (FR) 2021-03-17 — — EP disclosed
EP-3172242-B1 POLYMER MODIFIED ALONG THE CHAIN AND PROCESS FOR THE SYNTHESIS THEREOF MICHELIN & CIE (FR) 2019-03-27 — — EP disclosed
EP-2593437-B1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2017-09-06 — — EP disclosed
WO-2017121950-A1 METHOD FOR MODIFYING A NATURAL RUBBER, AND MODIFIED NATURAL RUBBER COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-07-20 — — WO disclosed
US-20170174794-A1 POLYMER MODIFIED ALONG THE CHAIN AND PROCESS FOR THE SYNTHESIS THEREOF COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-06-22 — — US disclosed
US-20170158782-A1 RUBBER COMPOSITION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-06-08 — — US disclosed
WO-2017089706-A1 RUBBER COMPOSITION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-06-01 — — WO disclosed
WO-2017089708-A1 RUBBER COMPOSITION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-06-01 — — WO disclosed
EP-2931754-B1 HEAVY GOODS VEHICLE TYRE COMPRISING A TREAD BASED ON A MODIFIED POLYISOPRENE, PROCESS FOR PREPARING SAME MICHELIN & CIE (FR) 2017-02-22 — — EP disclosed
US-9394380-B2 Graft polymer to which combined nitrogen molecules are grafted COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 — — US disclosed
EP-2593486-B1 RUBBER COMPOSITION COMPRISING MODIFIED ELASTOMER, PROCESS OF PREPARATION THEREOF AND TIRE CONTAINING RUBBER COMPOSTION MICHELIN & CIE (FR) 2016-03-23 — — EP disclosed
EP-2593485-B1 POLYMERS CRAFTET WITH AZOTIC MOLECULES MICHELIN & CIE (FR) 2016-03-23 — — EP disclosed
WO-2016012257-A1 POLYMER MODIFIED ALONG THE CHAIN AND PROCESS FOR THE SYNTHESIS THEREOF 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

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 KMT2A 3304/4885RAB9A 2902/4885ADORA2A 2920/4885

“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.