SCHEMBL19689858

SCHEMBL19689858

O=C(Nc1ccnc(OCC(O)CO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CC[C@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TRPV1 Q8NER1 4/20 0.34
▸ RAF1 P04049 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ NPY2R P49146 1/20 0.32
▸ GPR52 Q9Y2T5 2/20 0.32
▸ SLC5A1 P13866 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL17768037 1.00 KDM4E (0.34) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL19689731 1.00 KDM4E (0.34) KDM4EALDH1A1CYP2C9HPGDCYP2C19
Hydrochloric Acid SCHEMBL19689696 0.99 KDM4E (0.34) KDM4EALDH1A1CYP2C9HPGDCYP2C19
Hydrochloric Acid SCHEMBL17768257 0.99 KDM4E (0.34) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL17769515 0.96 KDM4E (0.34) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL20720977 0.96 KDM4E (0.34) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL17778555 0.96 KDM4E (0.34) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL17778778 0.91 KDM4E (0.36) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL17768227 0.91 MAPK14 (0.36) KDM4EALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL19689795 0.91 MAPK14 (0.36) 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 1355/4885ALDH1A1 993/4885CYP2C9 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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