SCHEMBL16090782

SCHEMBL16090782

COC(=O)c1cc2cc(C)c(C)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.52
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL16030973 0.87 XDH (0.48) XDHKDM4EALDH1A1RAB9AHPGD
SCHEMBL832561 0.87 XDH (0.48) XDHKDM4EALDH1A1RAB9AHPGD
SCHEMBL14205189 0.87 XDH (0.48) XDHKDM4EALDH1A1RAB9AHPGD
SCHEMBL7681890 0.83 ALDH1A1 (0.70) KDM4EALDH1A1RAB9AHPGDLMNA
SCHEMBL668523 0.82 GPR35 (0.62) XDHKDM4EALDH1A1RAB9AHPGD
SCHEMBL29803654 0.82 GPR35 (0.62) XDHKDM4EALDH1A1RAB9AHPGD
SCHEMBL31219118 0.81 XDH (0.51) XDHKDM4EALDH1A1RAB9AHPGD
SCHEMBL16235851 0.81 XDH (0.51) XDHKDM4EALDH1A1RAB9AHPGD
SCHEMBL6514324 0.81 RXFP1 (0.53) XDHKDM4EALDH1A1RAB9AHPGD
SCHEMBL7682186 0.79 GPR35 (0.63) KDM4EALDH1A1HPGDLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827602-B2 Mono- or di-substituted indole derivatives as dengue viral replication inhibitors Janssen Pharmaceuticals, Inc. (US) 2023-11-28 — — US disclosed
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2017-09-07 — — US disclosed
US-9505782-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 — — US disclosed
US-9505781-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 — — US disclosed
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-05-19 — — US disclosed
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-02-18 — — US disclosed
US-9216993-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-22 — — US disclosed
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 — — 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 (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-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 XDH 1447/4885KDM4E 152/4885ALDH1A1 2011/4885
US-11827602-B2 Mono- or di-substituted indole derivatives as dengue viral replication inhibitors IDO1, IDO2, IRF3 XDH 1048/4885KDM4E 602/4885ALDH1A1 2448/4885
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 XDH 1575/4885KDM4E 125/4885ALDH1A1 2417/4885
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 XDH 1364/4885KDM4E 148/4885ALDH1A1 1626/4885
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 XDH 1290/4885KDM4E 150/4885ALDH1A1 1622/4885

“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.

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