SCHEMBL20550390

SCHEMBL20550390

O=C(Nc1ccc(OCC(O)CO)nc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ HTR2B P41595 3/20 0.38
▸ TRPV1 Q8NER1 2/20 0.36
▸ RAF1 P04049 7/20 0.35
▸ IDH2 P48735 1/20 0.35
▸ BRAF P15056 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL17769442 1.00 HTR2A (0.38) HTR2AHTR2CHTR2BTRPV1RAF1
SCHEMBL17778327 1.00 HTR2A (0.38) HTR2AHTR2CHTR2BTRPV1RAF1
SCHEMBL17778502 0.96 HTR2A (0.39) HTR2AHTR2CHTR2BTRPV1RAF1
SCHEMBL20550386 0.96 HTR2A (0.39) HTR2AHTR2CHTR2BTRPV1RAF1
SCHEMBL17778501 0.96 HTR2A (0.39) HTR2AHTR2CHTR2BTRPV1RAF1
SCHEMBL17769652 0.96 HTR2A (0.39) HTR2AHTR2CHTR2BTRPV1RAF1
SCHEMBL17778374 0.92 TRPV1 (0.37) TRPV1RAF1IDH2BRAFKDM4E
SCHEMBL17769599 0.92 TRPV1 (0.37) TRPV1RAF1IDH2BRAFKDM4E
SCHEMBL17769604 0.92 TRPV1 (0.37) TRPV1RAF1IDH2BRAFKDM4E
SCHEMBL20550498 0.92 TRPV1 (0.38) TRPV1RAF1IDH2BRAFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2A 4669/4885HTR2C 4746/4885HTR2B 4380/4885

“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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