SCHEMBL12220130

SCHEMBL12220130

O=C(Nc1cccc2c(=O)cc(-c3ccccc3Cl)oc12)c1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ CYP1A1 P04798 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL12220191 0.90 MCL1 (0.56) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL2149104 0.89 SMN1; SMN2 (0.53) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL12220098 0.89 SMN1; SMN2 (0.53) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL12220142 0.89 SMN1; SMN2 (0.50) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL12220185 0.88 SMN1; SMN2 (0.48) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL12220118 0.88 SMN1; SMN2 (0.51) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL12219991 0.87 ALDH1A1 (0.57) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL12220049 0.87 ALDH1A1 (0.56) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL12220067 0.87 SMN1; SMN2 (0.50) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR
SCHEMBL15906660 0.87 SMN1; SMN2 (0.50) MCL1SMN1; SMN2ALDH1A1ALOX15TSHR

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 8 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
EP-2342188-B1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 — — EP 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 MCL1 860/4885SMN1; SMN2 2271/4885ALDH1A1 2249/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MCL1 1022/4885SMN1; SMN2 2197/4885ALDH1A1 1980/4885

“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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