SCHEMBL10045809

SCHEMBL10045809

CN(C)CCc1oc(-c2cccc(C(COCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)n2)nc1-c1cccc(C(=O)NC(COCc2ccccc2)c2cccc(-c3nc(-c4cccc(C(=O)OCc5ccccc5)n4)c(CCN(C)C)o3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.34
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MDM4 O15151 1/20 0.30
TP53 P04637 1/20 0.30
PTPN1 P18031 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL10045805 0.98 TNF (0.35) TNFHDAC1HDAC2MDM4TP53
SCHEMBL800983 0.96 TNF (0.33) TNF
SCHEMBL10045802 0.93 TNF (0.35) TNFHDAC1HDAC2MDM4TP53
SCHEMBL800894 0.80 MDM4 (0.33) TNFMDM4TP53CASP3
SCHEMBL10045804 0.80 CES1 (0.35)
SCHEMBL800437 0.78 MDM4 (0.34) HDAC1HDAC2MDM4TP53CASP3
SCHEMBL10045807 0.72 HDAC1 (0.41) TNFHDAC1HDAC2MDM4TP53
SCHEMBL30844644 0.65 HDAC1 (0.52) TNFHDAC1HDAC2MDM4TP53
SCHEMBL3366333 0.64 TNF (0.59) TNFHDAC1HDAC2MDM4TP53
SCHEMBL31186620 0.64 TNF (0.59) TNFHDAC1HDAC2MDM4TP53

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-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL TNF 4654/4885HDAC1 505/4885HDAC2 980/4885

“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.