SCHEMBL17618409

SCHEMBL17618409

O=C(Nc1cc[nH]c(=O)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ IDH2 P48735 4/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ GOT1 P17174 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL19699043 0.89 SCN10A (0.49) LRRK2SCN10ATRPV1KITIDH2
SCHEMBL16238528 0.88 IDH2 (0.37) IDH2KMT2AMEN1ALDH1A1KDM1A
SCHEMBL17618783 0.87 MEN1 (0.47) TRPV1KITIDH2KMT2AMEN1
SCHEMBL17618905 0.86 PHGDH (0.41) TRPV1IDH2KMT2AMEN1ALDH1A1
SCHEMBL16238412 0.86 PHGDH (0.41) TRPV1IDH2KMT2AMEN1ALDH1A1
SCHEMBL17618348 0.86 IDH2 (0.45) TRPV1IDH2KMT2AMEN1ALDH1A1
SCHEMBL17624529 0.86 KIT (0.39) KITIDH2
SCHEMBL17618349 0.85 FAAH (0.40) IDH2KMT2AMEN1ALDH1A1CA2
SCHEMBL17618498 0.85 MPL (0.43) IDH2KMT2AMEN1ALDH1A1KDM1A
SCHEMBL17618380 0.85 LPL (0.41) TRPV1IDH2KMT2AMEN1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LRRK2 657/4885SCN10A 3357/4885TRPV1 4249/4885

“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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