SCHEMBL17618807

SCHEMBL17618807

NC(=O)c1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ PLAT P00750 1/20 0.44
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ KIF11 P52732 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ RPS6KB1 P23443 2/20 0.39
▸ CFTR P13569 1/20 0.39
▸ IDH2 P48735 4/20 0.39
▸ NPY2R P49146 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL17618817 0.92 CA2 (0.41) PLGPLAUPLATCA2CA9
SCHEMBL17618348 0.91 IDH2 (0.45) CA2CA9IDH2MEN1KMT2A
SCHEMBL16250003 0.90 CA2 (0.42) CA2CA9KIF11IDH2NPY2R
SCHEMBL17618783 0.90 MEN1 (0.47) IDH2MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL16238420 0.90 CA2 (0.42) CA2CA9KIF11JAK2IDH2
SCHEMBL17618902 0.89 CA2 (0.42) CA2CA9JAK2RPS6KB1IDH2
SCHEMBL17618906 0.89 CA2 (0.42) CA2CA9JAK2RPS6KB1IDH2
SCHEMBL17618804 0.89 CA2 (0.50) CA2CA9MAPTLMNAHTT
SCHEMBL17618793 0.88 NPY2R (0.43) CA2CA9IDH2NPY2RMEN1
SCHEMBL17618792 0.87 CA2 (0.45) CA2CA9IDH2LMNAHTT

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 9 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-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-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
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 PLG 1070/4885PLAU 1579/4885PLAT 1809/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PLG 1237/4885PLAU 1816/4885PLAT 1733/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PLG 1237/4885PLAU 1816/4885PLAT 1733/4885

“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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