SCHEMBL17618415

SCHEMBL17618415

O=C(Nc1nc2ccccc2s1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.41
▸ USP8 P40818 2/20 0.41
▸ BCL2L1 Q07817 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NCS1 P62166 1/20 0.39
▸ CSNK1D P48730 3/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ KDM1A O60341 1/20 0.37

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
SCHEMBL17778878 0.93 TRPV1 (0.42) NPC1RAB9ASMN1; SMN2CSNK1DLRRK2
SCHEMBL17618797 0.88 USP2 (0.39) USP2USP8SMN1; SMN2KDM4EALDH1A1
SCHEMBL17618379 0.88 ALDH1A1 (0.39) USP2SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17618497 0.88 ALDH1A1 (0.39) USP2SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17618861 0.87 TRPV1 (0.45) TRPV1KDM1A
SCHEMBL17624557 0.87 LMNA (0.37) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL17618348 0.86 IDH2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ATRPV1
SCHEMBL17618805 0.86 SCN9A (0.38) ALDH1A1MEN1KMT2A
SCHEMBL17618403 0.85 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2DHODHKDM4E
SCHEMBL17618783 0.85 MEN1 (0.47) USP2SMN1; SMN2KDM4EALDH1A1MEN1

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 USP2 183/4885USP8 202/4885BCL2L1 892/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 USP2 218/4885USP8 270/4885BCL2L1 897/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 USP2 218/4885USP8 270/4885BCL2L1 897/4885

“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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