SCHEMBL19365541

SCHEMBL19365541

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1cccc(-c2cnco2)n1)C1CC[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.35
▸ BRAF P15056 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ KDM1A O60341 6/20 0.32
▸ MAOB P27338 4/20 0.32
▸ MAOA P21397 3/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ CTSS P25774 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ SLC9A1 P19634 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL19365786 0.89 RHOA (0.37) RHOABRAFPIK3CDPIK3CAPIK3CG
SCHEMBL19365833 0.89 RHOA (0.43) RHOABRAFPIK3CDPIK3CAPIK3CG
SCHEMBL19365584 0.89 BRAF (0.36) RHOABRAFKDRADORA2ACNR1
SCHEMBL19670563 0.83 ALOX15 (0.44) PIK3CDPIK3CAPIK3CGKDRKMO
SCHEMBL19365558 0.83 KDR (0.40) RHOABRAFPIK3CDPIK3CAPIK3CG
SCHEMBL19365643 0.83 KMO (0.36) PIK3CDPIK3CAPIK3CGKMOKDM1A
SCHEMBL19365769 0.82 MPL (0.43) BRAFPIK3CDPIK3CAPIK3CGKDR
SCHEMBL19365509 0.81 PHGDH (0.38) PIK3CDPIK3CAPIK3CGKMOKDM1A
SCHEMBL19365506 0.81 UBE2M (0.41) BRAFKDRFYN
SCHEMBL19365841 0.80 PIK3CD (0.36) 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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 RHOA 4798/4885BRAF 3419/4885PIK3CD 3327/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885BRAF 3419/4885PIK3CD 3327/4885

“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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