SCHEMBL19670563

SCHEMBL19670563

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1cnccn1)C1CC[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ KDM1A O60341 7/20 0.36
▸ MAOB P27338 5/20 0.36
▸ MAOA P21397 3/20 0.36
▸ DYRK3 O43781 2/20 0.35
▸ PRKD3 O94806 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ CLK2 P49760 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ LIMK1 P53667 2/20 0.35

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
SCHEMBL19365769 0.89 MPL (0.43) PIK3CDPIK3CAPIK3CGKMOKDM1A
SCHEMBL19365506 0.88 UBE2M (0.41) TSHRKDRFYN
SCHEMBL19365679 0.88 POLB (0.41) KMOKDM1AMAOBSIRT2HDAC1
SCHEMBL19365643 0.86 KMO (0.36) PIK3CDPIK3CAPIK3CGKMOKDM1A
SCHEMBL19365786 0.86 RHOA (0.37) PIK3CDPIK3CAPIK3CGKMOCLK2
SCHEMBL19365841 0.84 PIK3CD (0.36) PIK3CDPIK3CAPIK3CGKMOKDM1A
SCHEMBL19365509 0.83 PHGDH (0.38) PIK3CDPIK3CAPIK3CGKMOKDM1A
SCHEMBL19365541 0.83 RHOA (0.35) PIK3CDPIK3CAPIK3CGKMOKDM1A
SCHEMBL19365829 0.83 KDR (0.39) PIK3CDPIK3CAPIK3CGKMOKDM1A
SCHEMBL19365657 0.82 NPC1 (0.38) PIK3CDPIK3CAPIK3CGKMOKDM1A

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 3 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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALOX15 3469/4885TSHR 3064/4885CASP1 434/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ALOX15 3469/4885TSHR 3064/4885CASP1 434/4885

“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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