SCHEMBL1473826

SCHEMBL1473826

COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1-c1cnco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 13/20 1.00
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
TP53 P04637 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
PKM P14618 1/20 0.62
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
HSD17B10 Q99714 1/20 0.61
AAK1 Q2M2I8 3/20 0.60

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
SCHEMBL6484832 0.86 IMPDH2 (0.75) IMPDH2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6494498 0.86 IMPDH2 (0.74) IMPDH2AAK1
SCHEMBL15742820 0.85 IMPDH2 (0.73) IMPDH2AAK1
SCHEMBL1475788 0.83 IMPDH2 (1.00) IMPDH2AAK1
SCHEMBL1474411 0.82 IMPDH2 (1.00) IMPDH2AAK1
SCHEMBL4258273 0.81 IMPDH2 (0.80) IMPDH2AAK1
SCHEMBL4253104 0.81 IMPDH2 (0.80) IMPDH2AAK1
SCHEMBL14518615 0.79 IMPDH2 (0.74) IMPDH2AAK1
SCHEMBL5531405 0.78 AAK1 (0.75) IMPDH2AAK1
SCHEMBL6495167 0.77 IMPDH2 (0.79) IMPDH2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US claimed
EP-1127054-A4 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2006-11-02 EP claimed
US-20060122245-A1 Novel inhibitors of IMPDH enzyme GU HENRY H 2006-06-08 US claimed
US-20040102497-A1 Novel inhibitors of IMPDH enzyme GU HENRY H (US) 2004-05-27 US claimed
US-20040082562-A1 Novel inhibitors of IMPDH enzyme GU HENRY H (US) 2004-04-29 US claimed
EP-1127054-A1 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP claimed
WO-2000026197-A9 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2000-10-26 WO claimed
WO-2000026197-A1 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 WO claimed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
EP-1786415-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2007-05-23 EP disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20060122245-A1 Novel inhibitors of IMPDH enzyme GU HENRY H 2006-06-08 US disclosed
US-7053111-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB CO. (US) 2006-05-30 US disclosed
US-20060106097-A1 Metabolism-modulating agents and uses therefor UNIVERSITY OF QUEENSLAND (AU) 2006-05-18 US disclosed
WO-2006017896-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2006-02-23 WO disclosed
US-6624184-B1 Identification of the inhibitors of IMPDH (inosine-5'-monophosphate dehydrogenase). The compounds and pharmaceutical compositions disclosed herein are useful in treating or preventing IMPDH associated disorders, and BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 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 (4 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-20060122245-A1 Novel inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885NPC1 1295/4885RAB9A 2318/4885
US-20040082562-A1 Novel inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885NPC1 1340/4885RAB9A 2298/4885
US-20040102497-A1 Novel inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885NPC1 1340/4885RAB9A 2298/4885
US-20060106097-A1 Metabolism-modulating agents and uses therefor IMPDH1, IMPDH2, HADHB IMPDH2 2/4885NPC1 1370/4885RAB9A 2605/4885

“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.