SCHEMBL20550854

SCHEMBL20550854

O=C(Nc1ccnc(OC[C@@H](O)CO)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ RAF1 P04049 5/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ RHOA P61586 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CPT2 P23786 1/20 0.34
▸ CPT1A P50416 1/20 0.34
▸ CPT1B Q92523 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
SCHEMBL20550498 1.00 TRPV1 (0.38) TRPV1KDM4EUSP2LMNAALOX15
SCHEMBL17769801 1.00 TRPV1 (0.38) TRPV1KDM4EUSP2LMNAALOX15
SCHEMBL20550447 0.96 RAF1 (0.37) TRPV1KDM4EUSP2LMNAALOX15
SCHEMBL17778543 0.96 RAF1 (0.37) TRPV1KDM4EUSP2LMNAALOX15
SCHEMBL20550448 0.96 RAF1 (0.37) TRPV1KDM4EUSP2LMNAALOX15
Hydrochloric Acid SCHEMBL17769614 0.95 RAF1 (0.37) TRPV1KDM4EUSP2LMNAALOX15
Hydrochloric Acid SCHEMBL20550370 0.95 RAF1 (0.37) TRPV1KDM4EUSP2LMNAALOX15
SCHEMBL20550506 0.92 RAF1 (0.37) TRPV1KDM4EUSP2LMNAALOX15
SCHEMBL17769637 0.92 RAF1 (0.37) TRPV1KDM4EUSP2LMNAALOX15
SCHEMBL17769814 0.92 RAF1 (0.37) TRPV1KDM4EUSP2LMNAALOX15

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 TRPV1 3814/4885KDM4E 1291/4885USP2 329/4885

“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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