SCHEMBL19424804

SCHEMBL19424804

CC(C)(C)c1ccc(CNCCNc2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c([N+](C)([O-])O)c3)c(Oc3ccc4[nH]ccc4c3)c2)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 3/20 0.48
▸ ADRA1D P25100 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL19424692 0.80 BCL2 (0.56) BCL2
SCHEMBL19424831 0.79 BCL2 (0.64) BCL2
SCHEMBL2505525 0.79 BCL2 (0.72) BCL2ADRA1DDRD3SLC6A3TMEM97
SCHEMBL19424936 0.78 BCL2 (0.65) BCL2
SCHEMBL19424869 0.77 BCL2 (0.55) BCL2
SCHEMBL19424820 0.77 BCL2 (0.52) BCL2
SCHEMBL1957716 0.75 BCL2 (0.74) BCL2ADRA1DDRD3SLC6A3TMEM97
SCHEMBL19424853 0.75 BCL2 (0.63) BCL2
SCHEMBL19424967 0.75 BCL2 (0.57) BCL2
SCHEMBL19424745 0.74 BCL2 (0.56) BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 BCL2 520/4885ADRA1D 4402/4885DRD3 4791/4885

“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.

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