Sugi Predict

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SCHEMBL670907

SCHEMBL670907

CC(C)(O)C(C)(C)OB(O)c1ccc(N2CCCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UBE2T Q9NPD8 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CNR2 P34972 6/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ AOC3 Q16853 2/20 0.35
▸ RET P07949 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HPGDS O60760 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL427484 0.99 UBE2T (0.42) UBE2TTRPV1MAPTALDH1A1LMNA
SCHEMBL596087 0.90 HTR3A (0.41) ALDH1A1RETKDM4E
SCHEMBL219142 0.89 ALDH1A1 (0.43) MAPTALDH1A1LMNACNR2AOC3
SCHEMBL585940 0.89 RET (0.39) RETHPGDS
SCHEMBL24444830 0.87 UBE2T (0.40) UBE2TTRPV1MAPTALDH1A1LMNA
SCHEMBL18393476 0.87 KDM4E (0.42) RETKDM4EHRH3
SCHEMBL16278190 0.83 DDB1 (0.49) RET
SCHEMBL2069380 0.82 ALDH1A1 (0.38) MAPTALDH1A1LMNAPOLBHPGDS
SCHEMBL2237177 0.81 POLB (0.39) MAPTALDH1A1POLBHPGDS
SCHEMBL3643028 0.81 UBE2T (0.43) UBE2TTRPV1MAPTALDH1A1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 — — EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 — — US disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 — — EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 — — EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 — — WO disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 — — US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 — — 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 (3 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-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 UBE2T 3159/4885TRPV1 2642/4885MAPT 1751/4885
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 UBE2T 4561/4885TRPV1 2737/4885MAPT 4043/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 UBE2T 3159/4885TRPV1 2642/4885MAPT 1751/4885

“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.