SCHEMBL19228805

SCHEMBL19228805

Cc1ccc2[nH]c(-c3ncc(OCCN4CCOCC4)cc3CO)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RUNX1 Q01196 4/20 0.68
▸ ACHE P22303 4/20 0.58
▸ LTA4H P09960 1/20 0.43
▸ PDGFRB P09619 2/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41

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
SCHEMBL19228808 0.92 RUNX1 (0.57) RUNX1ACHELTA4HFGFR1DRD2
SCHEMBL19228814 0.91 ACHE (0.56) RUNX1ACHELTA4HFGFR1DHODH
SCHEMBL19228806 0.90 RUNX1 (0.55) RUNX1ACHEFGFR1DRD2DRD3
SCHEMBL19228807 0.87 RUNX1 (0.52) RUNX1ACHEALDH1A1LMNA
SCHEMBL19228815 0.86 RUNX1 (0.55) RUNX1ACHEFGFR1MAOAALDH1A1
SCHEMBL19228818 0.83 KCNA5 (0.54) RUNX1DRD2DRD3
SCHEMBL19228811 0.83 ACHE (0.66) RUNX1ACHELTA4HPDGFRBFGFR1
SCHEMBL19228820 0.83 RUNX1 (0.49) RUNX1ACHEDHODHDRD2DRD3
SCHEMBL19228816 0.80 CBFB (0.45) RUNX1ACHEALDH1A1
SCHEMBL19228810 0.78 RUNX1 (0.65) RUNX1ACHELTA4HPDGFRBFGFR1

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-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 — — 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-20170233375-A1 CANCER THERAPEUTICS RUNX1, CBFB, MCL1 RUNX1 1/4885ACHE 2581/4885LTA4H 4398/4885

“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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