SCHEMBL16249968

SCHEMBL16249968

O=C(NCc1ncc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)o1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.39
▸ RAF1 P04049 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.35
▸ EPHB4 P54760 2/20 0.35
▸ RORC P51449 2/20 0.34
▸ PTGES O14684 2/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ UBE2M P61081 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ TRPV4 Q9HBA0 2/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRM4 P08173 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
SCHEMBL19670547 0.96 MGLL (0.39) MGLLRAF1BRAFTRPV1EPHB4
SCHEMBL16237965 0.91 KMT2A (0.37) RAF1BRAFTRPV1MEN1ALDH1A1
SCHEMBL19699106 0.90 MGLL (0.43) MGLLRAF1BRAFTRPV1RORC
SCHEMBL16775772 0.88 FYN (0.37) RAF1BRAFTRPV1EPHB4PTGES
SCHEMBL16249949 0.88 FYN (0.34) RAF1BRAFTRPV1EPHB4MEN1
SCHEMBL19365249 0.88 TRPV1 (0.37) RAF1BRAFTRPV1EPHB4MEN1
Trifluoroacetic Acid SCHEMBL16238443 0.87 TRPV1 (0.34) RAF1BRAFTRPV1EPHB4MEN1
SCHEMBL16754701 0.87 DCUN1D1 (0.37) TRPV1UBE2MDCUN1D1
SCHEMBL16237553 0.87 FYN (0.37) TRPV1EPHB4MEN1ALDH1A1MAPT
SCHEMBL16775812 0.87 TRPV1 (0.37) RAF1BRAFTRPV1EPHB4MEN1

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 10 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-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
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO 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
WO-2014186313-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-11-20 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MGLL 2551/4885RAF1 2459/4885BRAF 2804/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MGLL 2998/4885RAF1 2875/4885BRAF 3419/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MGLL 2551/4885RAF1 2459/4885BRAF 2804/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MGLL 2998/4885RAF1 2875/4885BRAF 3419/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MGLL 2998/4885RAF1 2875/4885BRAF 3419/4885

“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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