Sugi Predict

Sugi Predict / Compounds / SCHEMBL434178

SCHEMBL434178

SCHEMBL434178

CC(C)(C)OC(N)(C=O)CN(CC(=O)O)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(N)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.32
▸ YTHDC1 Q96MU7 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32

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
SCHEMBL432837 0.84 CCNE2 (0.37) HDAC1HDAC2HDAC3HDAC8MCL1
SCHEMBL430210 0.83 CCNE2 (0.38) HDAC1HDAC2HDAC3HDAC8MCL1
SCHEMBL432838 0.79 CCNE2 (0.39) HDAC1HDAC2HDAC3HDAC8MCL1
SCHEMBL434582 0.79 CDK1 (0.43) HDAC1HDAC2HDAC3HDAC8CDK1
SCHEMBL434638 0.77 TLR7 (0.36) MCL1CCNE2CCNE1CDK2
SCHEMBL13037056 0.77 CCNE2 (0.37) HDAC1HDAC2HDAC3HDAC8MCL1
SCHEMBL10077231 0.77 TSHR (0.43) HDAC1HDAC2HDAC3HDAC8CDK1
SCHEMBL15235929 0.76 CCNE2 (0.37) HDAC1HDAC2HDAC3HDAC8MCL1
SCHEMBL13074308 0.76 CDK1 (0.42) HDAC1HDAC2HDAC3HDAC8CDK1
SCHEMBL431129 0.75 CCNE2 (0.40) HDAC1HDAC2HDAC8MCL1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 — — US disclosed
EP-2596102-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GeneArrest Ltd (IL) 2013-05-29 — — EP disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 — — WO disclosed
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 — — 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-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLRMT, POLM, SNRPE HDAC1 2698/4885HDAC2 2623/4885HDAC3 1416/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 HDAC1 2773/4885HDAC2 2568/4885HDAC3 1483/4885

“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.