SCHEMBL16776367

SCHEMBL16776367

CC(=O)c1cccc(NC(=O)N2CCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ FYN P06241 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RPS6KA2 Q15349 1/20 0.41
▸ RAF1 P04049 3/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ BRAF P15056 4/20 0.40
▸ PIKFYVE Q9Y2I7 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ RHOA P61586 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL16776364 0.93 CA2 (0.43) NPC1FYNLMNARAF1CA2
SCHEMBL16776322 0.93 NPC1 (0.44) NPC1FYNMEN1KMT2ALMNA
SCHEMBL16776330 0.93 NPC1 (0.46) NPC1FYNKMT2ALMNARAF1
SCHEMBL16776402 0.92 NPC1 (0.42) NPC1FYNRAF1CA2CA9
SCHEMBL16776329 0.90 FYN (0.42) NPC1FYNLMNARAF1CA2
SCHEMBL16776363 0.89 CYP1A2 (0.49) FYNMEN1KMT2ALMNARAF1
SCHEMBL16776323 0.88 RAF1 (0.44) NPC1FYNMEN1KMT2ARAF1
SCHEMBL16776345 0.88 NPY5R (0.42) NPC1FYNMEN1KMT2ARAF1
SCHEMBL16775868 0.88 CA2 (0.43) NPC1FYNMEN1KMT2ALMNA
SCHEMBL16776321 0.88 FYN (0.44) NPC1FYNMEN1KMT2ALMNA

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 NPC1 3380/4885FYN 2694/4885MEN1 3676/4885

“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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