SCHEMBL19699043

SCHEMBL19699043

O=C(Nc1cc[nH]c(=O)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 11/20 0.49
▸ LRRK2 Q5S007 1/20 0.41
▸ SCN8A Q9UQD0 8/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ GOT1 P17174 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ IDH2 P48735 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
SCHEMBL17618783 0.92 MEN1 (0.47) TRPV1GOT1KITMEN1ALDH1A1
SCHEMBL17618348 0.89 IDH2 (0.45) TRPV1MEN1ALDH1A1KMT2AMAPT
SCHEMBL17618409 0.89 LRRK2 (0.40) SCN10ALRRK2TRPV1GOT1KIT
SCHEMBL17618796 0.89 MEN1 (0.45) TRPV1MEN1ALDH1A1KMT2AMAPT
SCHEMBL17618902 0.88 CA2 (0.42) TRPV1MEN1ALDH1A1KMT2AMAPT
SCHEMBL17618906 0.88 CA2 (0.42) TRPV1MEN1ALDH1A1KMT2AMAPT
SCHEMBL17618820 0.87 MEN1 (0.43) TRPV1MEN1ALDH1A1KMT2AMAPT
SCHEMBL17618786 0.87 FYN (0.42) TRPV1KITMEN1ALDH1A1KMT2A
SCHEMBL17618358 0.87 RPS6KB1 (0.40) TRPV1KITMEN1ALDH1A1KMT2A
SCHEMBL20632093 0.86 MEN1 (0.43) TRPV1GOT1KITMEN1ALDH1A1

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 3 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
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 3878/4885LRRK2 533/4885SCN8A 4263/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SCN10A 3878/4885LRRK2 533/4885SCN8A 4263/4885

“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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