SCHEMBL125132

SCHEMBL125132

Cc1ccc2[nH]c(-c3ccc(OCCCOc4ccc(-c5nc6cc(CO)ccc6[nH]5)nc4)cn3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 8/20 0.64
▸ ACHE P22303 5/20 0.40
▸ RUNX1 Q01196 2/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL124433 0.94 CBFB (0.65) CBFBACHERUNX1METAP2METAP1
SCHEMBL125467 0.94 CBFB (0.65) CBFBACHERUNX1METAP2METAP1
SCHEMBL124328 0.94 CBFB (0.65) CBFBACHERUNX1METAP2METAP1
SCHEMBL125288 0.89 CBFB (0.69) CBFBRUNX1CYP4F2CYP4A11NPC1
SCHEMBL125164 0.87 CBFB (0.84) CBFBRUNX1CYP4F2CYP4A11NPC1
SCHEMBL124413 0.85 CBFB (0.58) CBFBMETAP2METAP1NPC1PKM
SCHEMBL125204 0.84 CBFB (0.54) CBFBACHERUNX1METAP2METAP1
SCHEMBL126324 0.84 CBFB (0.82) CBFBRUNX1NPC1PKMRAB9A
SCHEMBL125930 0.83 CBFB (0.68) CBFBRUNX1NPC1RAB9A
SCHEMBL125696 0.83 CBFB (0.68) CBFBRUNX1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926290-B2 Inhibitors of INV(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-27 — — US disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 — — US disclosed
US-9221764-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-29 — — US disclosed
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-08-28 — — US disclosed
US-8748618-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-06-10 — — US disclosed
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-08 — — 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 (3 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-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885ACHE 4855/4885RUNX1 10/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885ACHE 4846/4885RUNX1 10/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885ACHE 4846/4885RUNX1 10/4885

“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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