SCHEMBL19365537

SCHEMBL19365537

CN1CCCN(C(=O)Nc2ccc(CN)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ RIPK1 Q13546 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ FAAH O00519 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
SCHEMBL19670249 0.90 CA2 (0.42) CA2CA9RIPK1KIF11BACE1
SCHEMBL19670654 0.89 CA2 (0.42) CA2CA9KIF11SMN1; SMN2LMNA
SCHEMBL19670371 0.87 NAMPT (0.44) CA2CA9SMN1; SMN2LMNAGAA
SCHEMBL19705998 0.85 TRPA1 (0.38) CA2CA9RIPK1CNR2MAPT
SCHEMBL19365540 0.85 CA2 (0.38) CA2CA9BACE1SMN1; SMN2LMNA
SCHEMBL20632114 0.84 FYN (0.39) CA2CA9RIPK1SMN1; SMN2HTR2A
SCHEMBL19669976 0.84 HTR2A (0.52) CA2CA9RIPK1SMN1; SMN2HTR2A
SCHEMBL12654500 0.84 CA2 (0.44) CA2CA9SMN1; SMN2HTR2AHTR2C
SCHEMBL16776453 0.83 CA2 (0.38) CA2CA9SMN1; SMN2HTR2ALMNA
SCHEMBL19365797 0.83 TP53 (0.38) CA2CA9BACE1LMNAHDAC1

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4636/4885CA9 4430/4885RIPK1 1606/4885

“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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