SCHEMBL19706079

SCHEMBL19706079

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)NCCCCc1ccccc1)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ VCP P55072 1/20 0.40
▸ ITGB3 P05106 4/20 0.39
▸ ITGA2B P08514 4/20 0.39
▸ ASAH1 Q13510 3/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GPR52 Q9Y2T5 1/20 0.37
▸ CTSK P43235 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ KMO O15229 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
SCHEMBL19365828 0.93 CA12 (0.46) CA12CA1CA2CA9VCP
SCHEMBL19365630 0.91 CTSK (0.38) CA12CA1CA2CA9VCP
SCHEMBL19706158 0.84 NAMPT (0.42) KDM4E
SCHEMBL19365367 0.82 TLR8 (0.40) CA12CA1CA2CA9ITGB3
SCHEMBL19365753 0.82 CA12 (0.41) CA12CA1CA2CA9ITGB3
SCHEMBL19365391 0.81 DGAT2 (0.42) ITGB3ITGA2BACP1KMO
SCHEMBL19364862 0.81 MAP4K4 (0.45) CTSKKCNH2
SCHEMBL19365784 0.80 POLB (0.47) —
SCHEMBL19706248 0.80 NAMPT (0.40) KDM4EHDAC1ACP1KMO
SCHEMBL19365306 0.80 POLB (0.44) CA12CA1CA2CA9VCP

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA12 4836/4885CA1 4553/4885CA2 4253/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA12 4836/4885CA1 4553/4885CA2 4253/4885

“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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