SCHEMBL2617302

SCHEMBL2617302

[C-]#[N+]c1cc(C(=O)NCCc2ccc(OCC=C)cc2)ccc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 8/20 0.41
RAB9A P51151 8/20 0.41
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
CNR2 P34972 1/20 0.41
ACACB O00763 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL2630564 0.83 GAA (0.45) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL2617301 0.82 HTT (0.43) GAAMAPTRAB9ANPC1MEN1
SCHEMBL2617300 0.80 MTNR1B (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2617305 0.73 SPHK2 (0.46) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10426171 0.73 MEN1 (0.71) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2617299 0.72 MTNR1B (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL19601260 0.69 MAPT (0.48) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL132095 0.69 POLB (0.51) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL11077052 0.68 ACACB (0.52) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2617282 0.68 GAA (0.49) ALDH1A1GAAHPGDMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 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-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 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-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 KDM4E 3267/4885ALDH1A1 2159/4885GAA 466/4885
US-20090306127-A1 Certain Chemical Entities, Compositions and Methods KIF5B, KIF2C, PLK1 KDM4E 3116/4885ALDH1A1 1977/4885GAA 395/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KDM4E 3267/4885ALDH1A1 2159/4885GAA 466/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 KDM4E 3267/4885ALDH1A1 2159/4885GAA 466/4885
US-20090312365-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 KDM4E 3267/4885ALDH1A1 2159/4885GAA 466/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KDM4E 3267/4885ALDH1A1 2159/4885GAA 466/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 KDM4E 3267/4885ALDH1A1 2159/4885GAA 466/4885

“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.