SCHEMBL4730659

SCHEMBL4730659

COC(=O)c1cc(NC(=O)C(C)C)cc(C(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.63
LMNA P02545 2/20 0.60
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.48
HPGD P15428 2/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPN11 Q06124 1/20 0.48
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL14271233 0.83 HSD17B10 (0.71) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL5177009 0.83 ALDH1A1 (0.61) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL14205720 0.82 HSD17B10 (0.61) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL4731536 0.80 CA1 (0.60) HSD17B10LMNAALDH1A1KDM4EMAPT
SCHEMBL18115572 0.77 RAB9A (0.65) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL8036267 0.77 KDM4E (0.62) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL2716139 0.77 HSD17B10 (0.51) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL13391037 0.76 MEN1 (0.62) LMNAKMT2AALDH1A1KDM4EMAPT
SCHEMBL18172323 0.76 KDM4E (0.57) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL18172328 0.76 HSD17B10 (0.50) HSD17B10LMNAKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008054454-A2 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS TRANSTECH PHARMA, INC. (US) 2008-05-08 WO disclosed
WO-2008054454-A2 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS TRANSTECH PHARMA, INC. (US) 2008-05-08 WO disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 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-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NUDT1, PNP, NME2 HSD17B10 1963/4885LMNA 2007/4885KMT2A 4271/4885

“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.