SCHEMBL12220025

SCHEMBL12220025

O=C(Nc1cccc2c(=O)cc(-c3ccc(OC(F)(F)F)cc3)oc12)c1cnccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ CYSLTR1 Q9Y271 7/20 0.42
▸ CYSLTR2 Q9NS75 6/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 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
SCHEMBL12219993 0.92 NPC1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2ABL1
SCHEMBL12219991 0.86 ALDH1A1 (0.57) SMN1; SMN2TSHRALDH1A1ALOX15MCL1
SCHEMBL15906689 0.85 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2CYSLTR1CYSLTR2
SCHEMBL12220026 0.85 SMN1; SMN2 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2TSHR
SCHEMBL12219995 0.84 BRAF (0.51) SMN1; SMN2TSHRCSNK2A2CSNK2BCSNK2A1
SCHEMBL12220009 0.83 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1ALOX15MCL1
SCHEMBL12220153 0.81 SMN1; SMN2 (0.52) NPC1RAB9AL3MBTL1SMN1; SMN2CYSLTR1
SCHEMBL12220201 0.80 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2CYSLTR1CYSLTR2TSHR
SCHEMBL12220067 0.80 SMN1; SMN2 (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2TSHR
SCHEMBL2148858 0.80 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2CYSLTR1CYSLTR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 — — US disclosed
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 — — US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 — — US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 — — US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 — — US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 — — US disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 — — WO 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 (2 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-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPC1 3233/4885RAB9A 1678/4885L3MBTL1 3521/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NPC1 2949/4885RAB9A 1956/4885L3MBTL1 3930/4885

“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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