SCHEMBL3461226

SCHEMBL3461226

CN(C)C(=O)c1csc(-c2cc[c]cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
TLR7 Q9NYK1 3/20 0.41
STS P08842 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
HPGDS O60760 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
SCHEMBL1000293 0.82 HDAC1 (0.64) HSD17B1HSD17B2ALDH1A1HPGDRAB9A
SCHEMBL12925917 0.79 HSD17B1 (0.49) HSD17B1HSD17B2ALDH1A1HPGDRAB9A
SCHEMBL3462544 0.75 HPGDS (0.54) ALDH1A1HPGDRAB9ANPC1POLB
SCHEMBL12469791 0.73 HSD17B1 (0.46) HSD17B1HSD17B2ALDH1A1HPGDRAB9A
SCHEMBL12471487 0.73 HSD17B1 (0.46) HSD17B1HSD17B2ALDH1A1HPGDRAB9A
SCHEMBL12467649 0.73 HSD17B1 (0.42) HSD17B1HSD17B2ALDH1A1HPGDRAB9A
SCHEMBL2104945 0.72 HTR2C (0.45) ALDH1A1HPGDRAB9ANPC1
SCHEMBL2106355 0.72 HPGDS (0.55) ALDH1A1HPGDRAB9ANPC1POLB
SCHEMBL15849569 0.71 ALDH1A1 (0.58) HSD17B1HSD17B2ALDH1A1HPGDRAB9A
SCHEMBL15849568 0.71 ALDH1A1 (0.58) HSD17B1HSD17B2ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 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-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-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 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 (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-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 HSD17B1 1483/4885HSD17B2 1747/4885ALDH1A1 1729/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HSD17B1 2889/4885HSD17B2 2972/4885ALDH1A1 2159/4885

“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.