SCHEMBL12220201

SCHEMBL12220201

O=C(Nc1cccc2c(=O)cc(-c3cnccc3C(F)(F)F)oc12)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GPR35 Q9HC97 3/20 0.43
▸ BRAF P15056 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL12220067 0.93 SMN1; SMN2 (0.50) SMN1; SMN2GPR35BRAFALDH1A1ALOX15
SCHEMBL12220134 0.90 GPR35 (0.43) SMN1; SMN2GPR35ALDH1A1TSHRCYSLTR2
SCHEMBL2148858 0.86 SMN1; SMN2 (0.47) SMN1; SMN2GPR35BRAFALDH1A1ALOX15
SCHEMBL12220098 0.84 SMN1; SMN2 (0.53) SMN1; SMN2GPR35ALDH1A1ALOX15TSHR
SCHEMBL12219995 0.84 BRAF (0.51) SMN1; SMN2GPR35BRAFALDH1A1ALOX15
SCHEMBL12220137 0.83 SMN1; SMN2 (0.49) SMN1; SMN2GPR35ALDH1A1ALOX15TSHR
SCHEMBL12220026 0.83 SMN1; SMN2 (0.48) SMN1; SMN2GPR35BRAFALDH1A1ALOX15
SCHEMBL12220045 0.83 GPR35 (0.46) SMN1; SMN2GPR35BRAFALDH1A1TSHR
SCHEMBL12220130 0.83 MCL1 (0.57) SMN1; SMN2GPR35ALDH1A1ALOX15TSHR
SCHEMBL12220185 0.83 SMN1; SMN2 (0.48) SMN1; SMN2GPR35ALDH1A1ALOX15TSHR

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 SMN1; SMN2 2271/4885GPR35 866/4885BRAF 2255/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2197/4885GPR35 627/4885BRAF 2666/4885

“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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