Sugi Predict

Sugi Predict / Compounds / SCHEMBL16775812

SCHEMBL16775812

SCHEMBL16775812

O=C(CNCc1ncc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)c2)o1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.37
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRAF P15056 7/20 0.33
▸ RAF1 P04049 6/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ADK P55263 1/20 0.33
▸ IDH2 P48735 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ ELOVL6 Q9H5J4 1/20 0.33

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
SCHEMBL19365249 0.90 TRPV1 (0.37) TRPV1MAPTMEN1KMT2AALDH1A1
SCHEMBL16237965 0.90 KMT2A (0.37) TRPV1MAPTMEN1KMT2AALDH1A1
SCHEMBL16237553 0.88 FYN (0.37) TRPV1MAPTMEN1KMT2AALDH1A1
SCHEMBL16249949 0.87 FYN (0.34) TRPV1MAPTMEN1KMT2AALDH1A1
SCHEMBL16775772 0.87 FYN (0.37) TRPV1MAPTMEN1KMT2AALDH1A1
SCHEMBL16249968 0.87 MGLL (0.39) TRPV1MAPTMEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL16238443 0.86 TRPV1 (0.34) TRPV1MAPTMEN1KMT2AALDH1A1
SCHEMBL16754701 0.86 DCUN1D1 (0.37) TRPV1
SCHEMBL17618335 0.84 TRPV1 (0.39) TRPV1MAPTMEN1KMT2AALDH1A1
SCHEMBL17618334 0.83 TRPV1 (0.36) TRPV1MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (3 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 4249/4885MAPT 303/4885MEN1 3505/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885MAPT 267/4885MEN1 3676/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885MAPT 267/4885MEN1 3676/4885

“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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