SCHEMBL16776084

SCHEMBL16776084

CN1CCCCN(C(=O)Nc2cccc(C3(C(F)(F)F)N=N3)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FYN P06241 1/20 0.37
▸ KIF18A Q8NI77 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL19365266 0.89 GRIN2B (0.38) GRIN2BNPC1SMN1; SMN2FYNRIPK1
SCHEMBL19364921 0.89 KIF18A (0.38) GRIN2BNPC1SMN1; SMN2FYNKIF18A
SCHEMBL19670464 0.85 MAPT (0.40) GRIN2BNPC1SMN1; SMN2FYNKIF18A
SCHEMBL20631868 0.85 KIF18A (0.33) GRIN2BNPC1KIF18ARAB9A
SCHEMBL16776069 0.84 CA2 (0.39) GRIN2BNPC1SMN1; SMN2FYNKIF18A
SCHEMBL19669976 0.83 HTR2A (0.52) NPC1SMN1; SMN2FYNRIPK1CA2
SCHEMBL19670654 0.81 CA2 (0.42) NPC1SMN1; SMN2FYNCA2CA9
SCHEMBL19365537 0.81 CA2 (0.43) NPC1SMN1; SMN2RIPK1CA2CA9
SCHEMBL17623988 0.80 NPC1 (0.37) GRIN2BNPC1SMN1; SMN2FYNRIPK1
SCHEMBL12654500 0.79 CA2 (0.44) NPC1SMN1; SMN2CA2CA9HTR2A

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-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 GRIN2B 4510/4885NPC1 3380/4885SMN1; SMN2 2122/4885

“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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