SCHEMBL17624272

SCHEMBL17624272

C#CCOc1cccc(NC(=O)N2c3nc(-c4ccc(C5(C(F)(F)F)NN5)cc4)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.34
▸ MAPT P10636 2/20 0.33
▸ GMPS P49915 1/20 0.33
▸ CASR P41180 2/20 0.33
▸ NR4A1 P22736 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ F2 P00734 4/20 0.32
▸ THRB P10828 2/20 0.32
▸ ELANE P08246 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ ITK Q08881 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL17624273 0.94 F10 (0.33) F10MAPTGMPSCASRNR4A1
SCHEMBL17618896 0.91 F10 (0.34) F10MAPTGMPSNR4A1NR4A2
SCHEMBL17624633 0.88 MEN1 (0.32) F10MAPTCASRMEN1KMT2A
SCHEMBL17618892 0.87 KIF18A (0.35) F10MAPTGMPSNR4A1NR4A2
SCHEMBL19365589 0.86 MAPT (0.33) MAPTMEN1KMT2A
SCHEMBL19670339 0.86 MAPT (0.33) F10MAPTGMPSNR4A1NR4A2
SCHEMBL16776458 0.81 BRS3 (0.32) CASR
SCHEMBL17618895 0.81 KIF18A (0.35) F10MAPTMEN1KMT2A
SCHEMBL17624536 0.80 FGFR4 (0.32) —
SCHEMBL19670337 0.80 NPC1 (0.35) MAPTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 F10 1542/4885MAPT 303/4885GMPS 874/4885

“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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