Sugi Predict

Sugi Predict / Compounds / SCHEMBL5340227

SCHEMBL5340227

SCHEMBL5340227

CC(=O)OCCNc1c(C)c(C)nc(Oc2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TOP2A P11388 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CRHBP P24387 1/20 0.33

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
SCHEMBL4794080 0.87 KDM4E (0.33) KDM4ERECQLALDH1A1KMT2A
SCHEMBL1232835 0.85 ALDH1A1 (0.36) TOP2AL3MBTL1POLBCYP1A2CYP2C9
SCHEMBL4772034 0.85 HTR7 (0.42) NPC1RAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL28753431 0.83 TOP2A (0.37) RECQLTOP2AL3MBTL1ALDH1A1TDP1
SCHEMBL1232939 0.83 TOP2A (0.37) KDM4ERECQLTOP2AL3MBTL1ALDH1A1
SCHEMBL4835830 0.83 KDM4E (0.39) KDM4ERECQLL3MBTL1POLBNPC1
SCHEMBL6093663 0.79 POLB (0.38) RECQLL3MBTL1POLBCYP1A2CYP2C9
SCHEMBL6094889 0.79 BCHE (0.45) —
SCHEMBL4775733 0.78 FES (0.35) POLBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6097248 0.77 BRD4 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 — — US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 — — US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 — — US disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 — — US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 — — US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 — — 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 (3 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 KDM4E 869/4885RECQL 4466/4885TOP2A 1368/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP KDM4E 994/4885RECQL 3965/4885TOP2A 1616/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 KDM4E 869/4885RECQL 4466/4885TOP2A 1368/4885

“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.