SCHEMBL17618334

SCHEMBL17618334

N=C(N)NCc1ncc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CCC3CC4)c2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LDHA P00338 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KIT P10721 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ IDH2 P48735 2/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL16249949 0.96 FYN (0.34) TRPV1FYNCA2CA9EPHB4
Trifluoroacetic Acid SCHEMBL16238443 0.94 TRPV1 (0.34) TRPV1FYNCA2CA9EPHB4
SCHEMBL17618335 0.91 TRPV1 (0.39) TRPV1FYNCA2CA9EPHB4
SCHEMBL16775772 0.90 FYN (0.37) TRPV1FYNEPHB4MEN1KMT2A
SCHEMBL16237965 0.89 KMT2A (0.37) TRPV1FYNMEN1KMT2AALDH1A1
SCHEMBL19670547 0.88 MGLL (0.39) TRPV1EPHB4MEN1KMT2AALDH1A1
SCHEMBL19706044 0.88 FYN (0.35) TRPV1FYNCA2CA9EPHB4
SCHEMBL16237553 0.87 FYN (0.37) TRPV1FYNCA2CA9EPHB4
SCHEMBL16249968 0.85 MGLL (0.39) TRPV1EPHB4MEN1KMT2AALDH1A1
SCHEMBL19365249 0.84 TRPV1 (0.37) TRPV1FYNCA2CA9EPHB4

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-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

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 TRPV1 4249/4885FYN 3025/4885CA2 4636/4885

“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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