SCHEMBL17624574

SCHEMBL17624574

CC(C)(C)OC(=O)NCCn1cc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ AURKA O14965 3/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RORC P51449 3/20 0.34
▸ KDR P35968 2/20 0.34
▸ TEK Q02763 2/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ P2RY14 Q15391 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ ADRA2A P08913 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
SCHEMBL17618333 0.97 AURKA (0.36) MAPTRAF1BRAFAURKAAURKB
SCHEMBL16250004 0.96 MAPT (0.35) MAPTRAF1BRAFAURKAAURKB
SCHEMBL16754378 0.87 IDH2 (0.38) MAPTBRAFMEN1KMT2AALDH1A1
SCHEMBL19699091 0.85 MAPT (0.39) MAPTAURKAAURKBMEN1KMT2A
SCHEMBL16249982 0.85 AURKA (0.38) MAPTAURKAAURKBNPY2RMEN1
SCHEMBL17618888 0.84 NAMPT (0.42) NPY2RKMT2ARORCNPC1TRPV4
SCHEMBL19670126 0.84 IRAK1 (0.34) RORCKDRTEKGPR55P2RY14
SCHEMBL17601648 0.82 IDH2 (0.36) MAPTAURKAAURKBKDRTEK
SCHEMBL17624573 0.82 MAPT (0.36) MAPTNPY2RMEN1KMT2AALDH1A1
SCHEMBL17618783 0.82 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1

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 4 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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 MAPT 303/4885RAF1 2459/4885BRAF 2804/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 267/4885RAF1 2875/4885BRAF 3419/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 267/4885RAF1 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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