SCHEMBL1932283

SCHEMBL1932283

Cc1cc(B(O)O)c(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 2/20 0.43
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL29436155 1.00 UHRF1 (0.43) UHRF1CYP1A2CYP2A6NOS3NOS1
SCHEMBL29951379 0.81 UHRF1 (0.48) UHRF1CYP1A2CYP2A6NOS3NOS1
SCHEMBL22445288 0.81 UHRF1 (0.48) UHRF1CYP1A2CYP2A6NOS3NOS1
SCHEMBL29957702 0.79 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL29911781 0.77 UHRF1 (0.35) UHRF1CYP1A2CYP2A6
SCHEMBL29956638 0.77 NOS3 (0.58) UHRF1NOS3NOS1NOS2
SCHEMBL29953715 0.77 ALDH1A1 (0.36) NOS3NOS1NOS2
SCHEMBL29956471 0.77 UHRF1 (0.35) UHRF1CYP1A2CYP2A6
SCHEMBL15051004 0.77 CYP3A4 (0.34) CYP2A6NOS3NOS1NOS2
SCHEMBL29911719 0.77 CYP3A4 (0.34) CYP2A6NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 WO disclosed
EP-2504333-B1 Morpholinothiazoles as alpha 7 positive allosteric modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-15 EP disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-8637510-B2 Morpholinothiazoles as alpha 7 positive allosteric modulators JANSSEN PHARMACEUTICA NV (BE) 2014-01-28 US disclosed
EP-2504333-A1 MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-10-03 EP disclosed
US-20120238561-A1 MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-09-20 US disclosed
WO-2011064288-A1 MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-03 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 (5 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-20120238561-A1 MORPHOLINOTHIAZOLES AS ALPHA 7 POSITIVE ALLOSTERIC MODULATORS CHRNA7, CHRNE, CHRNA1 UHRF1 2888/4885CYP1A2 3130/4885CYP2A6 2428/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 UHRF1 190/4885CYP1A2 3492/4885CYP2A6 4019/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 UHRF1 266/4885CYP1A2 2450/4885CYP2A6 3447/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 UHRF1 190/4885CYP1A2 3492/4885CYP2A6 4019/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 UHRF1 190/4885CYP1A2 3492/4885CYP2A6 4019/4885

“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.