Sugi Predict

Sugi Predict / Compounds / SCHEMBL4553500

SCHEMBL4553500

SCHEMBL4553500

CC(C)Oc1ccc(C(=O)NC(Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)CN2C(=O)c3ccccc3C2=O)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.39
▸ ALDH1A2 O94788 1/20 0.39
▸ ALDH1A3 P47895 1/20 0.39
▸ KIFC1 Q9BW19 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ S1PR1 P21453 5/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ PPARG P37231 4/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ MINK1 Q8N4C8 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL2105538 1.00 CENPE (0.60) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1
SCHEMBL2102545 0.94 CENPE (0.63) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1
SCHEMBL2103853 0.92 CENPE (0.72) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1
SCHEMBL6033499 0.92 CENPE (0.72) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1
SCHEMBL2104390 0.88 CENPE (0.65) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1
SCHEMBL4761956 0.88 CENPE (0.65) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1
SCHEMBL3462432 0.87 CENPE (0.69) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1
SCHEMBL2104043 0.87 CENPE (0.69) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1
SCHEMBL3461499 0.86 CENPE (0.58) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1
SCHEMBL13625070 0.86 CENPE (0.58) CENPEALDH1A1ALDH1A2ALDH1A3KIFC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 CENPE 522/4885ALDH1A1 1729/4885ALDH1A2 1962/4885

“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.