SCHEMBL12417639

SCHEMBL12417639

CNC(=O)c1c(O)cc2n(c1=O)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KCNH2 Q12809 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 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
SCHEMBL12417640 0.96 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1KMT2AMEN1
SCHEMBL9235345 0.73 SMN1; SMN2 (0.35) ALDH1A1POLBSMN1; SMN2KDM4EHPGD
SCHEMBL12417672 0.73 NR1H2 (0.54) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL24088863 0.71 MAPK1 (0.53) ALDH1A1TSHRMAPK1KMT2AMEN1
SCHEMBL12417644 0.71 TSHR (0.49) ALDH1A1TSHRMAPK1KMT2AMEN1
SCHEMBL12605348 0.71 RAB9A (0.44) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL22646427 0.71 SLC10A1 (0.34) ALDH1A1KMT2AMEN1POLBPKM
SCHEMBL12417674 0.70 RAB9A (0.51) ALDH1A1KMT2AMEN1PKMSMN1; SMN2
SCHEMBL22646289 0.70 POLB (0.36) ALDH1A1POLBPKMNPC1RAB9A
SCHEMBL10425780 0.69 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1GAASMN1; 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 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-20090111815-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111852-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 ALDH1A1 2339/4885TSHR 3874/4885MAPK1 2949/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 ALDH1A1 3016/4885TSHR 2270/4885MAPK1 2789/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 ALDH1A1 3016/4885TSHR 2270/4885MAPK1 2789/4885
US-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 ALDH1A1 2362/4885TSHR 4219/4885MAPK1 3086/4885

“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.