SCHEMBL12417686

SCHEMBL12417686

Cc1nnc(NC(=O)c2c(O)cc(C)n(C)c2=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.53
KDM4E B2RXH2 5/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
USP2 O75604 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 2/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP3 Q96P20 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL12417683 0.81 RAB9A (0.52) RAB9ANPC1KDM4EHTTTSHR
SCHEMBL1889246 0.78 RAB9A (0.52) RAB9ANPC1KDM4EHTTMAPT
SCHEMBL1890286 0.76 RAB9A (0.57) RAB9ANPC1HTTALOX15MAPT
SCHEMBL1777838 0.76 RAB9A (0.58) RAB9ANPC1KDM4EHTTTSHR
SCHEMBL1891342 0.75 RAB9A (0.52) RAB9ANPC1KDM4EHTTTSHR
SCHEMBL1893161 0.75 RAB9A (0.52) RAB9ANPC1TSHRALOX15GAA
SCHEMBL14624286 0.75 RAB9A (0.57) RAB9ANPC1KDM4EHTTTSHR
SCHEMBL12417614 0.75 RAB9A (0.57) RAB9ANPC1KDM4EHTTTSHR
SCHEMBL1778349 0.75 RAB9A (0.54) RAB9ANPC1KDM4EHTTTSHR
SCHEMBL1891165 0.74 RAB9A (0.51) RAB9ANPC1KDM4ETSHRSMN1; SMN2

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 4 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-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 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 (2 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-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 RAB9A 1024/4885NPC1 1710/4885KDM4E 988/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 RAB9A 1024/4885NPC1 1710/4885KDM4E 988/4885

“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.