SCHEMBL16776004

SCHEMBL16776004

COc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)CCCN3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.42
▸ MAPT P10636 8/20 0.42
▸ TP53 P04637 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ GRM5 P41594 3/20 0.40
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL16775850 0.91 FGFR4 (0.44) FGFR4GRM5
SCHEMBL16775866 0.91 FGFR4 (0.45) FGFR4
SCHEMBL16775936 0.88 FGFR4 (0.43) FGFR4MAPTALDH1A1GRM5
SCHEMBL16776012 0.88 FGFR4 (0.43) FGFR4MAPTTP53ALDH1A1LMNA
SCHEMBL16776049 0.87 FGFR4 (0.42) FGFR4F10
SCHEMBL16775857 0.87 FGFR4 (0.44) FGFR4ALDH1A1GRM5FYN
SCHEMBL16776040 0.85 FGFR4 (0.41) FGFR4GRM5FYN
SCHEMBL16776042 0.85 FGFR4 (0.40) FGFR4ALDH1A1SMN1; SMN2F10
SCHEMBL16776021 0.85 FGFR4 (0.42) FGFR4MAPK1
SCHEMBL16775847 0.85 FGFR4 (0.43) FGFR4ALDH1A1GRM5FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1754/4885MAPT 267/4885TP53 349/4885

“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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