SCHEMBL16776049

SCHEMBL16776049

O=C(Nc1ccc(F)cn1)N1CCCNc2ccc(-c3cccc(N4CCCC4)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.42
▸ VCP P55072 1/20 0.38
▸ F10 P00742 4/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ KARS1 Q15046 2/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ CAMK2D Q13557 1/20 0.35
▸ KISS1R Q969F8 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ MET P08581 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ ABL1 P00519 1/20 0.35

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
SCHEMBL16776042 0.91 FGFR4 (0.40) FGFR4VCPF10KARS1PRKCI
SCHEMBL16775866 0.91 FGFR4 (0.45) FGFR4TRPV1
SCHEMBL16775850 0.89 FGFR4 (0.44) FGFR4CSF1RMETKDR
SCHEMBL16775936 0.88 FGFR4 (0.43) FGFR4CNR1
SCHEMBL16776060 0.88 FGFR4 (0.43) FGFR4VCPCNR1KARS1PRKCI
SCHEMBL16776071 0.88 VCP (0.39) FGFR4VCPF10KARS1TRPV1
SCHEMBL16776194 0.88 FGFR4 (0.42) FGFR4CNR1KARS1CSF1RMET
SCHEMBL16776004 0.87 FGFR4 (0.42) FGFR4F10
SCHEMBL16775857 0.87 FGFR4 (0.44) FGFR4TRPV1
SCHEMBL16775997 0.87 RPS6KA2 (0.41) F10CNR1KARS1PRKCIKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1754/4885VCP 1270/4885F10 1387/4885

“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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