SCHEMBL12029436

SCHEMBL12029436

O=C(Nc1nccs1)c1cccc2c(=O)cc(-c3cccc(Cl)c3)[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ SI P14410 1/20 0.52
▸ MGAM2 Q2M2H8 1/20 0.52
▸ KCNMA1 Q12791 2/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ GCK P35557 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NR2E3 Q9Y5X4 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.45

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
SCHEMBL12029435 0.86 CSNK2A2 (0.46) GAANPC1ALDH1A1MAPTLMNA
SCHEMBL12029397 0.86 LMNA (0.45) GAANPC1ALDH1A1MAPTLMNA
SCHEMBL12029430 0.85 MEN1 (0.53) MGAMGAASIMGAM2KCNMA1
SCHEMBL12029432 0.84 HPGD (0.43) MGAMGAASIMGAM2NPC1
SCHEMBL12029433 0.84 LMNA (0.43) NPC1ALDH1A1MAPTLMNAHPGD
SCHEMBL12029438 0.81 KMT2A (0.47) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL12029431 0.79 CSNK2A2 (0.46) GAANPC1ALDH1A1MAPTLMNA
SCHEMBL12029439 0.79 CSNK2A2 (0.46) GAANPC1ALDH1A1MAPTLMNA
SCHEMBL17714641 0.77 EGFR (0.40) NPC1MAPTLMNAHPGDKMT2A
SCHEMBL12029434 0.77 ALOX15 (0.46) GAANPC1ALDH1A1MAPTLMNA

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-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
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 — — EP 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 MGAM 3191/4885GAA 809/4885SI 2138/4885

“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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