SCHEMBL19689800

SCHEMBL19689800

O=C(Nc1ccnc(OCC(O)CO)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.38
▸ TRPV1 Q8NER1 5/20 0.37
▸ NPY2R P49146 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SCN10A Q9Y5Y9 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
SCHEMBL17778714 1.00 RAF1 (0.38) RAF1TRPV1NPY2RKDM4EUSP2
SCHEMBL17767972 1.00 RAF1 (0.38) RAF1TRPV1NPY2RKDM4EUSP2
SCHEMBL19689799 1.00 RAF1 (0.38) RAF1TRPV1NPY2RKDM4EUSP2
SCHEMBL17769296 0.96 RAF1 (0.37) RAF1TRPV1NPY2RKDM4EUSP2
SCHEMBL20720919 0.96 RAF1 (0.37) RAF1TRPV1NPY2RKDM4EUSP2
SCHEMBL17778595 0.96 RAF1 (0.37) RAF1TRPV1NPY2RKDM4EUSP2
SCHEMBL17768082 0.92 RAF1 (0.41) RAF1TRPV1KDM4EUSP2LMNA
SCHEMBL17768080 0.92 RAF1 (0.41) RAF1TRPV1KDM4EUSP2LMNA
SCHEMBL19689726 0.92 RAF1 (0.39) RAF1TRPV1SCN10A
SCHEMBL19689725 0.92 RAF1 (0.39) RAF1TRPV1SCN10A

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 RAF1 2078/4885TRPV1 4032/4885NPY2R 1991/4885

“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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