SCHEMBL19361168

SCHEMBL19361168

O=C(Nc1ccc(F)cn1)N1c2nc(-c3cccc(N4CCCC4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.39
▸ F10 P00742 5/20 0.38
▸ SCD O00767 1/20 0.37
▸ DEGS1 O15121 3/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.36
▸ ABL1 P00519 3/20 0.35
▸ ITK Q08881 1/20 0.35
▸ FGFR4 P22455 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT8 Q9NR22 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
SCHEMBL17618548 0.93 VCP (0.37) VCPF10SCDDEGS1CNR1
SCHEMBL17618547 0.93 VCP (0.37) VCPF10SCDDEGS1CNR1
SCHEMBL17618391 0.91 SCD (0.41) SCDDEGS1ABL1
SCHEMBL17618535 0.90 VCP (0.35) VCPF10SCDDEGS1ITK
SCHEMBL17618574 0.90 VCP (0.37) VCPF10SCDDEGS1
SCHEMBL17618376 0.89 GRM5 (0.39) F10SCDCNR1
SCHEMBL17618499 0.89 GRM5 (0.39) F10SCDCNR1
SCHEMBL17618446 0.88 GRM5 (0.42) DEGS1CNR1ITK
SCHEMBL17618445 0.88 VCP (0.44) VCPTRPV3CARM1PRMT6PRMT8
SCHEMBL17618500 0.87 LPL (0.41) SCD

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 7 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

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 VCP 1270/4885F10 1387/4885SCD 1014/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 VCP 1270/4885F10 1387/4885SCD 1014/4885

“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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