SCHEMBL20550606

SCHEMBL20550606

O=C(Nc1ncc(OCC(O)CO)cn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CC[C@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CPT2 P23786 2/20 0.34
▸ CPT1A P50416 2/20 0.34
▸ CPT1B Q92523 1/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RAF1 P04049 2/20 0.33
▸ BRAF P15056 2/20 0.33

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
SCHEMBL17778465 1.00 KDM4E (0.34) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL17769742 1.00 KDM4E (0.34) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL20550554 0.96 KIF11 (0.35) KDM4ENPY5RCPT2CPT1ACPT1B
SCHEMBL17778505 0.96 KIF11 (0.35) KDM4ENPY5RCPT2CPT1ACPT1B
SCHEMBL17769613 0.96 KIF11 (0.35) KDM4ENPY5RCPT2CPT1ACPT1B
SCHEMBL17769670 0.92 TRPV1 (0.35) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL20550364 0.92 TRPV1 (0.35) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL17769667 0.92 TRPV1 (0.35) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL17769718 0.92 TRPV1 (0.35) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL17769715 0.92 TRPV1 (0.35) KDM4EALDH1A1CYP2C9HPGDCYP2C19

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 KDM4E 1291/4885ALDH1A1 1067/4885CYP2C9 1341/4885

“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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