SCHEMBL16775868

SCHEMBL16775868

Cc1cc(NC(=O)N2CCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KMO O15229 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RAF1 P04049 2/20 0.40
▸ SORT1 Q99523 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SLC5A1 P13866 2/20 0.38
▸ ABL1 P00519 1/20 0.38

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
SCHEMBL16776322 0.91 NPC1 (0.44) CA2CA9FYNMEN1KMT2A
SCHEMBL16785525 0.90 CA2 (0.43) CA2CA9KMOFYNMEN1
SCHEMBL16785558 0.89 CA2 (0.39) CA2CA9KMOFYNMEN1
SCHEMBL16776367 0.88 NPC1 (0.44) CA2CA9FYNMEN1KMT2A
SCHEMBL16776329 0.87 FYN (0.42) CA2CA9KMOFYNLMNA
SCHEMBL16776323 0.87 RAF1 (0.44) CA2CA9FYNMEN1KMT2A
SCHEMBL16776321 0.87 FYN (0.44) CA2CA9KMOFYNMEN1
SCHEMBL16776363 0.87 CYP1A2 (0.49) CA2CA9FYNMEN1KMT2A
SCHEMBL16776476 0.86 CA2 (0.43) CA2CA9KMOFYNMEN1
SCHEMBL16776364 0.86 CA2 (0.43) CA2CA9KMOFYNLMNA

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 CA2 4253/4885CA9 4248/4885KMO 768/4885

“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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