SCHEMBL4547902

SCHEMBL4547902

CC(C)c1cncc(CN2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
HRH3 Q9Y5N1 5/20 0.43
MAPT P10636 1/20 0.42
ALOX15 P16050 2/20 0.41
KCNH2 Q12809 1/20 0.39
CYP2A13 Q16696 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL4547908 0.86 CLK2 (0.37) CXCR4HRH3MAPTALDH1A1
SCHEMBL10039360 0.84 CLK2 (0.41) HRH3MAPTHSD17B10ALDH1A1
SCHEMBL4553878 0.80 CXCR4 (0.53) CXCR4SMN1; SMN2HRH3ALOX15CYP2A13
SCHEMBL12028978 0.79 CXCR4 (0.71) CXCR4SMN1; SMN2HRH3MAPTALOX15
SCHEMBL11960352 0.77 HRH3 (0.53) CXCR4SMN1; SMN2HRH3MAPTALOX15
SCHEMBL15260256 0.76 CXCR4 (0.53) CXCR4SMN1; SMN2HRH3ALOX15CYP2A13
SCHEMBL20937776 0.75 CXCR4 (0.47) CXCR4SMN1; SMN2HRH3MAPTALOX15
SCHEMBL179331 0.73 KMT2A (0.42) SMN1; SMN2MAPTHSD17B10MEN1ALDH1A1
SCHEMBL11960346 0.73 MAPT (0.46) CXCR4SMN1; SMN2HRH3MAPTALOX15
SCHEMBL14905955 0.72 CXCR4 (0.47) CXCR4SMN1; SMN2HRH3MAPTALOX15

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 8 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-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
WO-2011116176-A1 3-SUBSTITUED IMIDAZO (4, 5-B) PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2011-09-22 WO disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 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 (4 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 CXCR4 3452/4885SMN1; SMN2 2271/4885HRH3 3555/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CXCR4 3575/4885SMN1; SMN2 3331/4885HRH3 3415/4885
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CXCR4 4720/4885SMN1; SMN2 2090/4885HRH3 3639/4885
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CXCR4 3796/4885SMN1; SMN2 2153/4885HRH3 3227/4885

“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.