SCHEMBL17618403

SCHEMBL17618403

CC(=O)c1sc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDR P35968 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL17618497 0.92 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17618379 0.92 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17618366 0.87 IDH2 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL16775975 0.87 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19361166 0.85 TRPA1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17618415 0.85 USP2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17624557 0.85 LMNA (0.37) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17618811 0.84 TSHR (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17618797 0.84 USP2 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17618820 0.84 MEN1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E

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 SMN1; SMN2 2211/4885ALDH1A1 1910/4885KDR 1526/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885ALDH1A1 1726/4885KDR 1697/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885ALDH1A1 1726/4885KDR 1697/4885

“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