SCHEMBL19706074

SCHEMBL19706074

Nc1ccc(-c2ccnc(N3CCC(C(F)(F)F)C3)c2)nc1N(C(=O)Nc1ccc(F)cn1)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ITGB2 P05107 9/20 0.34
▸ ICAM1 P05362 9/20 0.34
▸ ITGAL P20701 9/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ MAP3K12 Q12852 1/20 0.34
▸ CLK2 P49760 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ NTRK1 P04629 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ NR3C2 P08235 1/20 0.32

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
SCHEMBL19365304 0.89 KARS1 (0.39) SCN10AKARS1OPRD1MAP3K12
SCHEMBL19706101 0.88 SCN10A (0.35) SCN10AHDAC10HDAC6ITGB2ICAM1
SCHEMBL19670247 0.80 PTGS1 (0.39) KCNH2
SCHEMBL19670445 0.77 GRM5 (0.39) —
SCHEMBL19706193 0.77 CNR2 (0.40) —
SCHEMBL16776128 0.75 FGFR4 (0.38) SCN10AITGB2ICAM1ITGALKARS1
SCHEMBL16238200 0.75 SCD (0.37) SCN10AITGB2ICAM1ITGALKARS1
SCHEMBL19365428 0.75 HDAC2 (0.48) —
SCHEMBL19670311 0.75 FGFR4 (0.37) SCN10AITGB2ICAM1ITGALKARS1
SCHEMBL19670490 0.74 SLC34A1 (0.36) SCN10AITGB2ICAM1ITGALKARS1

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 SCN10A 3878/4885HDAC10 273/4885HDAC6 25/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SCN10A 3878/4885HDAC10 273/4885HDAC6 25/4885

“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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