SCHEMBL16775698

SCHEMBL16775698

CC(C)c1cccc(-c2ccnn2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
TGFBR1 P36897 6/20 0.34
CYP2D6 P10635 2/20 0.33
LATS1 O95835 1/20 0.33
PORCN Q9H237 1/20 0.33
IDH1 O75874 1/20 0.33
THRB P10828 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL15726348 0.84 COMT (0.47) COMTALDH1A1KDM4ENPC1LMNA
SCHEMBL13086700 0.79 CYP11B1 (0.40) COMTALDH1A1KDM4ENPC1LMNA
SCHEMBL15980642 0.79 NOS3 (0.43) COMTALDH1A1KDM4ENPC1LMNA
SCHEMBL12269929 0.77 CCR1 (0.54) COMTALDH1A1KDM4ENPC1LMNA
SCHEMBL18422770 0.76 ALDH1A1 (0.41) COMTALDH1A1KDM4ENPC1LMNA
SCHEMBL30797999 0.76 ALDH1A1 (0.41) COMTALDH1A1KDM4ENPC1LMNA
SCHEMBL20817544 0.76 ALDH1A1 (0.41) COMTALDH1A1KDM4ENPC1LMNA
SCHEMBL12922238 0.75 CCR1 (0.46) KDM4ELMNARAB9ASMN1; SMN2TGFBR1
SCHEMBL13086432 0.73 COMT (0.39) COMTALDH1A1KDM4ENPC1LMNA
SCHEMBL23087554 0.72 COMT (0.38) COMTALDH1A1KDM4ENPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 COMT 2844/4885ALDH1A1 1910/4885KDM4E 1109/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 COMT 3326/4885ALDH1A1 1726/4885KDM4E 950/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 COMT 2844/4885ALDH1A1 1910/4885KDM4E 1109/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 COMT 3326/4885ALDH1A1 1726/4885KDM4E 950/4885

“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.