SCHEMBL12417634

SCHEMBL12417634

CNC(=O)c1c(O)c(C)c(C)n(C(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
KCNH2 Q12809 1/20 0.32
HTR4 Q13639 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 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
SCHEMBL12417653 0.84 POLB (0.35) HTTPOLBTSHRKDM4EALDH1A1
SCHEMBL12417652 0.84 POLB (0.35) HTTPOLBTSHRKDM4EALDH1A1
SCHEMBL12417620 0.78 TSHR (0.40) HTTTSHRKDM4EALDH1A1GAA
SCHEMBL12417631 0.74 TSHR (0.50) HTTTSHRKDM4EALDH1A1HPGD
SCHEMBL12417627 0.73 KDM4E (0.40) HTTPOLBTSHRKDM4EALDH1A1
SCHEMBL12417637 0.70 TSHR (0.37) HTTPOLBTSHRKDM4EALDH1A1
SCHEMBL12417636 0.69 TSHR (0.42) HTTTSHRKDM4EALDH1A1HPGD
SCHEMBL12417654 0.66 TSHR (0.39) TSHRKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL12417647 0.66 TSHR (0.39) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12417635 0.65 TSHR (0.47) HTTTSHRKDM4EALDH1A1GAA

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-7943638-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7943614-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 HTT 1609/4885POLB 2775/4885TSHR 3874/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 HTT 1488/4885POLB 2648/4885TSHR 2270/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 HTT 1488/4885POLB 2648/4885TSHR 2270/4885
US-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 HTT 2001/4885POLB 2378/4885TSHR 4219/4885

“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.