SCHEMBL17618783

SCHEMBL17618783

O=C(Nc1cccc(C(F)(F)F)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ IDH2 P48735 8/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ GOT1 P17174 1/20 0.42
▸ KIT P10721 1/20 0.42

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
SCHEMBL17618348 0.96 IDH2 (0.45) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL17618796 0.95 MEN1 (0.45) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL20632093 0.94 MEN1 (0.43) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL17618820 0.93 MEN1 (0.43) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL17618786 0.93 FYN (0.42) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL17618816 0.93 CYP1A2 (0.48) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL17618906 0.92 CA2 (0.42) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL17618902 0.92 CA2 (0.42) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL17618875 0.92 KMT2A (0.41) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL19699043 0.92 SCN10A (0.49) MEN1KMT2AALDH1A1IDH2MAPT

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 9 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
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 (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 MEN1 3505/4885KMT2A 1287/4885ALDH1A1 1910/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MEN1 3676/4885KMT2A 1438/4885ALDH1A1 1726/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MEN1 3676/4885KMT2A 1438/4885ALDH1A1 1726/4885

“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.

Send feedback