SCHEMBL3462770

SCHEMBL3462770

CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cc[c]cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.66
HDAC1 Q13547 4/20 0.55
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
HDAC6 Q9UBN7 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
NR1H4 Q96RI1 3/20 0.48
EPHX2 P34913 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
XBP1 P17861 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
HDAC10 Q969S8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 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
SCHEMBL23899245 0.92 NAMPT (0.72) NAMPTHDAC1MAPTTDP1HDAC6
SCHEMBL23899122 0.87 NAMPT (0.66) NAMPTHDAC1MAPTTDP1HDAC6
SCHEMBL24891652 0.87 NAMPT (0.66) NAMPTHDAC1MAPTTDP1HDAC6
SCHEMBL1438618 0.86 NAMPT (0.75) NAMPTHDAC1MAPTTDP1HDAC6
SCHEMBL2213535 0.86 NAMPT (0.65) NAMPTHDAC1MAPTTDP1HDAC6
SCHEMBL24670224 0.86 NAMPT (0.65) NAMPTHDAC1MAPTTDP1HDAC6
SCHEMBL24891860 0.86 NAMPT (0.65) NAMPTHDAC1MAPTTDP1HDAC6
SCHEMBL24891764 0.86 NAMPT (0.65) NAMPTHDAC1MAPTTDP1HDAC6
SCHEMBL501867 0.85 L3MBTL1 (0.51) NAMPTHDAC1MAPTTDP1L3MBTL1
SCHEMBL24892213 0.84 NAMPT (0.62) NAMPTHDAC1MAPTTDP1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2009-12-17 US disclosed
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC 2009-12-10 US disclosed
US-7618981-B2 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INC. (US) 2009-11-17 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 US disclosed
US-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide CYTOKINETICS, INCORPORATED 2006-05-04 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 (7 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-20060094708-A1 to treat cellular proliferative diseases, hyperplasias, solid tumor, cardiac hypertrophy, immune disorders and inflammation; modulators of one or more mitotic kinesins; N-(2-(2-dimethylamino-acetylamino)-1-{4-[8-(1-hydroxy-ethyl)-imidazo[1,2-a]pyridin-2-yl]-benzyl}-ethyl)-3-chloro-4-isopropoxy-benzamide KIF5B, KIF18A, KIF2C NAMPT 4002/4885HDAC1 33/4885MAPT 899/4885
US-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NAMPT 3369/4885HDAC1 484/4885MAPT 294/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 NAMPT 3212/4885HDAC1 406/4885MAPT 330/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NAMPT 3369/4885HDAC1 484/4885MAPT 294/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 NAMPT 3369/4885HDAC1 484/4885MAPT 294/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 NAMPT 3369/4885HDAC1 484/4885MAPT 294/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NAMPT 3369/4885HDAC1 484/4885MAPT 294/4885

“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.