SCHEMBL17624573

SCHEMBL17624573

CC(C)(C)OC(=O)NCc1cnnn1-c1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPY2R P49146 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RORC P51449 7/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL19699098 0.90 MEN1 (0.38) MAPTNPY2RMEN1ALDH1A1KMT2A
SCHEMBL17624267 0.89 ALDH1A1 (0.36) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL16249982 0.87 AURKA (0.38) MAPTNPY2RMEN1ALDH1A1KMT2A
SCHEMBL17618888 0.85 NAMPT (0.42) NPY2RKMT2ARORCCA2CA9
SCHEMBL17624574 0.82 MAPT (0.36) MAPTNPY2RMEN1ALDH1A1KMT2A
SCHEMBL16250024 0.81 NAMPT (0.41) MAPTNPY2RKMT2ARORCCA2
SCHEMBL19669054 0.81 NAMPT (0.41) MAPTNPY2RKMT2ARORCCA2
SCHEMBL19670369 0.81 NAMPT (0.41) MAPTNPY2RKMT2ARORCCA2
SCHEMBL17618783 0.81 MEN1 (0.47) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL19699099 0.80 HSD11B1 (0.34) MAPTPOLBMEN1ALDH1A1KMT2A

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 5 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-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-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 (2 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 303/4885POLB 798/4885NPY2R 2272/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 267/4885POLB 961/4885NPY2R 2186/4885

“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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