SCHEMBL4547951

SCHEMBL4547951

Cc1nc(N2CCCCC2)sc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.54
SMN1; SMN2 Q16637 10/20 0.40
HPGD P15428 6/20 0.40
TSHR P16473 4/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPK1 P28482 4/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL12219870 0.83 PIK3CD (0.55) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL16558712 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL4852520 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL28339173 0.71 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL15265545 0.70 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL17452584 0.70 PIK3CD (0.52) ALDH1A1SMN1; SMN2HPGDMAPK1GAA
SCHEMBL16404868 0.69 PIK3CD (0.72) ALDH1A1SMN1; SMN2HPGDTSHRRAB9A
SCHEMBL23758340 0.67 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL13787617 0.67 PIK3CD (0.74) ALDH1A1SMN1; SMN2HPGDTSHRRAB9A
SCHEMBL8738721 0.67 PIK3CD (0.56) ALDH1A1SMN1; SMN2RAB9AMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9326986-B2 Quinazolinone, quinolone and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2016-05-03 US disclosed
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
US-20120165330-A1 QUINAZOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US 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 (12 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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 ALDH1A1 2062/4885SMN1; SMN2 2318/4885HPGD 247/4885
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 1855/4885SMN1; SMN2 1970/4885HPGD 378/4885
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 2140/4885SMN1; SMN2 2484/4885HPGD 333/4885
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 2260/4885SMN1; SMN2 2270/4885HPGD 287/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 1976/4885SMN1; SMN2 3331/4885HPGD 207/4885
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 639/4885SMN1; SMN2 2090/4885HPGD 377/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 1031/4885SMN1; SMN2 2143/4885HPGD 707/4885
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 2326/4885SMN1; SMN2 2735/4885HPGD 359/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1980/4885SMN1; SMN2 2197/4885HPGD 295/4885
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1335/4885SMN1; SMN2 2153/4885HPGD 670/4885
US-20120165330-A1 QUINAZOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 1729/4885SMN1; SMN2 3120/4885HPGD 280/4885
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1368/4885SMN1; SMN2 2303/4885HPGD 211/4885

“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.