SCHEMBL12417635

SCHEMBL12417635

CNC(=O)c1c(O)c(C)c2n(c1=O)CCC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HTT P42858 3/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 2/20 0.36
USP2 O75604 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL12417644 0.96 TSHR (0.49) TSHRMAPK1HSD17B10KMT2AMEN1
SCHEMBL9233695 0.74 KDM4E (0.48) MAPK1KMT2AMEN1GAAKDM4E
SCHEMBL12417640 0.71 ALDH1A1 (0.41) TSHRMAPK1HSD17B10KMT2AMEN1
SCHEMBL12417620 0.68 TSHR (0.40) TSHRKMT2AMEN1GAAKDM4E
SCHEMBL13857265 0.67 KDM4E (0.50) MAPK1KMT2AMEN1GAAKDM4E
SCHEMBL24088863 0.67 MAPK1 (0.53) TSHRMAPK1HSD17B10KMT2AMEN1
SCHEMBL20939754 0.67 PDE3B (0.40) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL12417639 0.67 ALDH1A1 (0.46) TSHRMAPK1HSD17B10KMT2AMEN1
SCHEMBL12417634 0.65 HTT (0.39) TSHRMAPK1HSD17B10KMT2AMEN1
SCHEMBL2052824 0.64 KDM4E (0.47) MAPK1KMT2AMEN1GAAKDM4E

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-8304437-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME ARIMORI SADAYUKI 2011-07-14 US disclosed
US-7943614-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7943638-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090111852-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111815-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 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 (4 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-20090111852-A1 Carboxamide Compound and Use of the Same CBR3, H1-3, H1-0 TSHR 3874/4885MAPK1 2949/4885HSD17B10 3193/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 TSHR 2270/4885MAPK1 2789/4885HSD17B10 3128/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 TSHR 2270/4885MAPK1 2789/4885HSD17B10 3128/4885
US-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 TSHR 4219/4885MAPK1 3086/4885HSD17B10 3713/4885

“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.