SCHEMBL16237965

SCHEMBL16237965

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ IDH2 P48735 3/20 0.36
▸ FYN P06241 1/20 0.35
▸ RAF1 P04049 3/20 0.35
▸ BRAF P15056 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPY2R P49146 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
SCHEMBL16775772 0.93 FYN (0.37) KMT2AMEN1ALDH1A1MAPTTRPV1
SCHEMBL16249949 0.93 FYN (0.34) KMT2AMEN1ALDH1A1MAPTTRPV1
Trifluoroacetic Acid SCHEMBL16238443 0.92 TRPV1 (0.34) KMT2AMEN1ALDH1A1MAPTTRPV1
SCHEMBL16249968 0.91 MGLL (0.39) KMT2AMEN1ALDH1A1MAPTTRPV1
SCHEMBL16237553 0.91 FYN (0.37) KMT2AMEN1ALDH1A1MAPTTRPV1
SCHEMBL16775812 0.90 TRPV1 (0.37) KMT2AMEN1ALDH1A1MAPTTRPV1
SCHEMBL19365249 0.90 TRPV1 (0.37) KMT2AMEN1ALDH1A1MAPTTRPV1
SCHEMBL17618334 0.89 TRPV1 (0.36) KMT2AMEN1ALDH1A1MAPTTRPV1
SCHEMBL16754701 0.88 DCUN1D1 (0.37) TRPV1
SCHEMBL19670547 0.87 MGLL (0.39) KMT2AMEN1ALDH1A1MAPTTRPV1

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 11 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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP 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
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 — — EP 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
EP-2997029-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-03-23 — — EP 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 (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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885ALDH1A1 1726/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1287/4885MEN1 3505/4885ALDH1A1 1910/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885ALDH1A1 1726/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885ALDH1A1 1726/4885

“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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