SCHEMBL17778530

SCHEMBL17778530

O=C(Nc1cccc(OC[C@H](O)CO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KIF18A Q8NI77 6/20 0.35
▸ TRPV1 Q8NER1 7/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ NPY2R P49146 1/20 0.33
▸ TRPV4 Q9HBA0 2/20 0.32
▸ TACR2 P21452 1/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ SCN5A Q14524 1/20 0.32

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
SCHEMBL19706612 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ECYP2C9HPGDCYP2C19
SCHEMBL19689672 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ECYP2C9HPGDCYP2C19
SCHEMBL19689671 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ECYP2C9HPGDCYP2C19
Hydrochloric Acid SCHEMBL19689761 0.99 ALDH1A1 (0.34) ALDH1A1KDM4ECYP2C9HPGDCYP2C19
Hydrochloric Acid SCHEMBL19689759 0.99 ALDH1A1 (0.34) ALDH1A1KDM4ECYP2C9HPGDCYP2C19
SCHEMBL17778623 0.96 KIF11 (0.34) ALDH1A1KDM4ECYP2C9HPGDCYP2C19
SCHEMBL20720962 0.96 KIF11 (0.34) ALDH1A1KDM4ECYP2C9HPGDCYP2C19
SCHEMBL17769303 0.96 KIF11 (0.34) ALDH1A1KDM4ECYP2C9HPGDCYP2C19
SCHEMBL17768072 0.93 KDR (0.34) ALDH1A1KDM4ECYP2C9HPGDCYP2C19
SCHEMBL19689807 0.93 KDR (0.34) ALDH1A1KDM4ECYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 993/4885KDM4E 1355/4885CYP2C9 1342/4885

“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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