SCHEMBL10045802

SCHEMBL10045802

CN(C)CCc1oc(-c2cccc(C(COCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)n2)nc1-c1cccc(C(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.35
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
CASP3 P42574 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PTPN1 P18031 2/20 0.31
EPHX2 P34913 1/20 0.31
MDM2 Q00987 1/20 0.30
KMT2A Q03164 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 0.95 TNF (0.35) TNFMDM4TP53CASP3HDAC1
SCHEMBL10045809 0.93 TNF (0.34) TNFMDM4TP53CASP3HDAC1
SCHEMBL800983 0.89 TNF (0.33) TNF
SCHEMBL800894 0.83 MDM4 (0.33) TNFMDM4TP53CASP3MDM2
SCHEMBL800437 0.81 MDM4 (0.34) MDM4TP53CASP3HDAC1HDAC2
SCHEMBL10045807 0.75 HDAC1 (0.41) TNFMDM4TP53CASP3HDAC1
SCHEMBL3366333 0.66 TNF (0.59) TNFMDM4TP53CASP3HDAC1
SCHEMBL120685 0.66 TNF (0.59) TNFMDM4TP53CASP3HDAC1
SCHEMBL31186620 0.66 TNF (0.59) TNFMDM4TP53CASP3HDAC1
SCHEMBL29398946 0.66 TNF (0.59) TNFMDM4TP53CASP3HDAC1

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 4654/4885MDM4 579/4885TP53 62/4885

“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.