SCHEMBL17618574

SCHEMBL17618574

O=C(Nc1ccc(F)cn1)N1c2nc(-c3cccc(N4CCC(C(F)(F)F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.37
▸ SCD O00767 1/20 0.35
▸ CLK2 P49760 6/20 0.35
▸ LRRK2 Q5S007 6/20 0.35
▸ F10 P00742 2/20 0.35
▸ LPL P06858 1/20 0.34
▸ LIPC P11150 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ NR1H2 P55055 2/20 0.33
▸ NR1H3 Q13133 2/20 0.33
▸ DEGS1 O15121 2/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL17618548 0.93 VCP (0.37) VCPSCDLRRK2F10LPL
SCHEMBL17618547 0.93 VCP (0.37) VCPSCDLRRK2F10LPL
SCHEMBL17618563 0.90 VCP (0.41) VCPCLK2LRRK2LPLLIPC
SCHEMBL19361168 0.90 VCP (0.39) VCPSCDF10DEGS1
SCHEMBL17618567 0.88 KARS1 (0.41) VCPCLK2LRRK2SCN5ASCN10A
SCHEMBL16238200 0.88 SCD (0.37) SCDCLK2LRRK2LPLLIPC
SCHEMBL17618391 0.88 SCD (0.41) SCDHPGDSDEGS1
SCHEMBL19365294 0.87 VCP (0.35) VCPSCDCLK2LRRK2F10
SCHEMBL17618500 0.87 LPL (0.41) SCDLPLLIPCLIPGTRPV1
SCHEMBL17618380 0.87 LPL (0.41) SCDLPLLIPCLIPGTRPV1

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 6 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-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 (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 VCP 1889/4885SCD 928/4885CLK2 575/4885

“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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