SCHEMBL7653891

SCHEMBL7653891

CC(C)(C)OC(=O)c1ccc(CCc2nc(N)nc(N)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SLC7A5 Q01650 1/20 0.38
CYP4A11 Q02928 3/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
CYP4F2 P78329 2/20 0.36
DHFR P00374 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMO Q99835 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL7660756 0.79 P2RX3 (0.47) DHFRTP53SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL16594355 0.77 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL14966328 0.77 HDAC1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL9446061 0.76 TLR8 (0.39) TLR8TLR7SLC7A5ABCG2DHFR
Hydrochloric Acid SCHEMBL5963878 0.76 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL2207588 0.76 CYP4A11 (0.60) CA12CA1CA2CA9CA14
SCHEMBL13891334 0.76 PLK1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL4212803 0.75 SIRT2 (0.43) CA12CA1CA2CA9CA14
SCHEMBL7246822 0.75 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL31688879 0.75 CYP4A11 (0.49) CA12CA1CA2CA9CA14

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-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 US disclosed
US-20010044535-A1 Integrin antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-11-22 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-20010044535-A1 Integrin antagonists ITGB3, VCAM1, ITGB2 CA12 4557/4885CA1 4714/4885CA2 4316/4885

“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.