SCHEMBL16776406

SCHEMBL16776406

O=C(Nc1nnc(-c2ccccc2)o1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 6/20 0.50
▸ ADCY8 P40145 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ATR Q13535 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ SRPK1 Q96SB4 1/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL16776408 0.92 KDM4E (0.42) ADCY1ADCY8KDM4EHTTLMNA
SCHEMBL16776405 0.92 ADCY1 (0.43) ADCY1ADCY8KDM4EHTTLMNA
SCHEMBL16776329 0.84 FYN (0.42) HTTLMNAMAPK1KMOSMN1; SMN2
SCHEMBL16776322 0.84 NPC1 (0.44) LMNAMEN1KMT2ASMN1; SMN2CA2
SCHEMBL16775892 0.83 FGFR4 (0.42) LMNAHSD17B10L3MBTL1KMOMEN1
SCHEMBL16776344 0.82 CA2 (0.46) HTTLMNAHSD17B10KMOSMN1; SMN2
SCHEMBL16775890 0.82 KMO (0.38) KMOSMN1; SMN2CA2CA9
SCHEMBL16775817 0.82 FAAH (0.40) KMOMEN1KMT2ACA2CA9
SCHEMBL16776416 0.82 KMO (0.38) KDM4EHTTLMNAKMOMEN1
SCHEMBL16776302 0.81 POLB (0.43) KDM4ELMNAKMOSMN1; SMN2ALDH1A1

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 ADCY1 3053/4885ADCY8 1629/4885KDM4E 950/4885

“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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