SCHEMBL800894

SCHEMBL800894

CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(-c2nc(-c3cccc(Cc4ccccc4)n3)c(CCN(C)C)o2)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
CASP3 P42574 4/20 0.33
CXCR2 P25025 1/20 0.32
MDM2 Q00987 2/20 0.31
TNF P01375 1/20 0.31

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
SCHEMBL800437 0.88 MDM4 (0.34) MDM4TP53CASP3CXCR2MDM2
SCHEMBL10045802 0.83 TNF (0.35) MDM4TP53CASP3MDM2TNF
SCHEMBL10045805 0.82 TNF (0.35) MDM4TP53CASP3TNF
SCHEMBL800983 0.82 TNF (0.33) TNF
SCHEMBL10045809 0.80 TNF (0.34) MDM4TP53CASP3TNF
SCHEMBL801052 0.68 CASP3 (0.43) MDM4TP53CASP3MDM2
SCHEMBL26009043 0.62 MDM4 (0.55) MDM4TP53CASP3MDM2
SCHEMBL21895853 0.62 SMN1; SMN2 (0.52) CASP3
SCHEMBL30704249 0.61 CASP3 (0.54) MDM4TP53CASP3
SCHEMBL31370693 0.61 KMT2A (0.51) MDM4TP53CASP3

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 MDM4 524/4885TP53 41/4885CASP3 599/4885

“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.