SCHEMBL16775872

SCHEMBL16775872

O=C(Nc1ccnc(OCC(O)CO)n1)N1CCCNc2ccc(-c3cccc(F)c3)nc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ RPS6KA3 P51812 2/20 0.32
▸ SCN9A Q15858 3/20 0.32
▸ FGFR4 P22455 1/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ SLC5A1 P13866 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.31
▸ CPT1A P50416 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL16775867 0.87 KMO (0.36) PIK3CAKMORPS6KA3SCN9AFGFR4
SCHEMBL16775880 0.87 RPS6KA3 (0.35) KMORPS6KA3CDK9EGFRFAAH
SCHEMBL16775871 0.83 EGFR (0.33) KMORPS6KA3EGFRTRPV3
SCHEMBL16775870 0.80 GRM5 (0.39) KMORPS6KA3CDK9CCNT1
SCHEMBL16775864 0.80 FGFR4 (0.44) KMORPS6KA3FGFR4FAAHCPT1A
SCHEMBL16775866 0.79 FGFR4 (0.45) KMORPS6KA3FGFR4
SCHEMBL16775855 0.79 CA9 (0.39) KMORPS6KA3FGFR4
SCHEMBL17655335 0.79 FGFR4 (0.43) KMOFGFR4
SCHEMBL16785561 0.79 FGFR4 (0.36) KMOFGFR4TRPV3CPT1A
SCHEMBL16776100 0.79 FGFR4 (0.42) SCN9AFGFR4CDK9

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 PIK3CA 3691/4885KMO 768/4885RPS6KA3 2368/4885

“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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