SCHEMBL17778716

SCHEMBL17778716

N#Cc1cc2c(nc1-c1cccc(C(F)(F)F)c1)N(C(=O)Nc1ccnc(OC[C@@H](O)CO)c1)[C@H]1CCN2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ RAF1 P04049 3/20 0.36
▸ TBK1 Q9UHD2 1/20 0.35
▸ SCN10A Q9Y5Y9 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GPR52 Q9Y2T5 2/20 0.33
▸ TP53 P04637 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
SCHEMBL19689825 1.00 LDHA (0.39) LDHASMN1; SMN2RXFP1RAF1TBK1
SCHEMBL19689800 0.91 RAF1 (0.38) SMN1; SMN2RAF1SCN10AKDM4EMEN1
SCHEMBL17768082 0.91 RAF1 (0.41) SMN1; SMN2RAF1SCN10AKDM4EMEN1
SCHEMBL17778714 0.91 RAF1 (0.38) SMN1; SMN2RAF1SCN10AKDM4EMEN1
SCHEMBL17767972 0.91 RAF1 (0.38) SMN1; SMN2RAF1SCN10AKDM4EMEN1
SCHEMBL19689799 0.91 RAF1 (0.38) SMN1; SMN2RAF1SCN10AKDM4EMEN1
SCHEMBL17768080 0.91 RAF1 (0.41) SMN1; SMN2RAF1SCN10AKDM4EMEN1
SCHEMBL19706732 0.88 RAF1 (0.36) SMN1; SMN2RAF1SCN10AKDM4EMEN1
SCHEMBL16754555 0.88 RAF1 (0.39) SMN1; SMN2RAF1SCN10AKDM4EMEN1
SCHEMBL16754554 0.88 RAF1 (0.39) SMN1; SMN2RAF1SCN10AKDM4EMEN1

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 LDHA 1606/4885SMN1; SMN2 2016/4885RXFP1 1196/4885

“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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