SCHEMBL19365657

SCHEMBL19365657

COc1cc(NC(=O)N(c2nc(-c3cccc(C(F)(F)F)c3)ccc2N)C2CC[C@H]2O)nc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PTGDR Q13258 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ KDM1A O60341 3/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 2/20 0.34

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
SCHEMBL19365829 0.90 KDR (0.39) KDM1APIK3CDPIK3CAPIK3CGKMO
SCHEMBL19365831 0.89 P2RY1 (0.39) NPC1RAB9ACYP1A2PTGDRALDH1A1
SCHEMBL19365643 0.82 KMO (0.36) ADORA2AKDM1APIK3CDPIK3CAPIK3CG
SCHEMBL19670563 0.82 ALOX15 (0.44) KDM1APIK3CDPIK3CAPIK3CGKMO
SCHEMBL19365769 0.82 MPL (0.43) KDM1APIK3CDPIK3CAPIK3CGKMO
SCHEMBL19365862 0.79 KDM1A (0.40) ALDH1A1ADORA2AKDM1APIK3CDPIK3CA
SCHEMBL19365509 0.79 PHGDH (0.38) RAB9AADORA2AKDM1APIK3CDPIK3CA
SCHEMBL19365506 0.79 UBE2M (0.41) RAB9AMAPT
SCHEMBL19365616 0.79 P2RY1 (0.40) NPC1RAB9ACYP1A2PTGDRALDH1A1
SCHEMBL19670449 0.79 KDR (0.40) RAB9AALDH1A1KDM1APIK3CDPIK3CA

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 NPC1 3380/4885RAB9A 1471/4885CYP1A2 3492/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NPC1 3380/4885RAB9A 1471/4885CYP1A2 3492/4885

“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