SCHEMBL12029289

SCHEMBL12029289

O=C(Nc1cccc2c(=O)[nH]c(-c3ccccc3OC(F)F)nc12)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ 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 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL12029305 0.88 SMN1; SMN2 (0.50) SMN1; SMN2GAATSHRALDH1A1ALOX15
SCHEMBL12029325 0.87 SMN1; SMN2 (0.53) SMN1; SMN2GAATSHRALDH1A1ALOX15
SCHEMBL12029299 0.84 SMN1; SMN2 (0.48) SMN1; SMN2GAATSHRALDH1A1ALOX15
SCHEMBL12029302 0.83 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1ALOX15MCL1
SCHEMBL15906706 0.83 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1ALOX15MCL1
SCHEMBL12029287 0.81 GAA (0.52) SMN1; SMN2GAATSHRALDH1A1ALOX15
SCHEMBL12029284 0.79 SMN1; SMN2 (0.49) SMN1; SMN2GAATSHRALDH1A1ALOX15
SCHEMBL12029324 0.76 NPC1 (0.44) SMN1; SMN2GAAMEN1KMT2AKDM4E
SCHEMBL12220070 0.76 GAA (0.51) SMN1; SMN2GAATSHRALDH1A1ALOX15
SCHEMBL12029050 0.76 SMN1; SMN2 (0.49) SMN1; SMN2GAATSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 — — US disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 — — US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED 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 (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-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SMN1; SMN2 3331/4885GAA 809/4885TSHR 3318/4885

“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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