SCHEMBL12029135

SCHEMBL12029135

Cn1c(-c2ccc(S(C)(=O)=O)cc2)nc2c(C(=O)Nc3ccccn3)cccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 2/20 0.51
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ EGFR P00533 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ POLB P06746 4/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 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
SCHEMBL12029145 0.91 ALDH1A1 (0.44) ATRNPC1RAB9AALDH1A1KDM4E
SCHEMBL12029129 0.89 CHRNB2 (0.52) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL12029178 0.89 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL465783 0.88 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL13419278 0.88 NPC1 (0.47) ATRNPC1RAB9AALDH1A1KDM4E
SCHEMBL12029146 0.88 NPC1 (0.48) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL12029127 0.85 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL12029144 0.85 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL12029190 0.85 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4ETP53
SCHEMBL12029192 0.85 POLB (0.51) ATRNPC1RAB9AALDH1A1KDM4E

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 ATR 945/4885NPC1 3833/4885RAB9A 493/4885

“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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