SCHEMBL4308571

SCHEMBL4308571

Cc1cc(C(=O)C(=O)c2cccc(Br)c2)ccc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4309410 0.87 CES2 (0.44) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL2281307 0.86 SMN1; SMN2 (0.35) PARP1SMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL4312595 0.86 SMN1; SMN2 (0.47) CES2CES1PARP1SMN1; SMN2MEN1
SCHEMBL4316039 0.86 CES2 (0.58) CES2CES1SMN1; SMN2TSHRPDE4A
SCHEMBL4308482 0.85 L3MBTL1 (0.42) PARP1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL15956962 0.85 CES2 (0.56) CES2CES1PARP1SMN1; SMN2MEN1
SCHEMBL15956605 0.84 SMN1; SMN2 (0.47) CES2CES1PARP1SMN1; SMN2MEN1
SCHEMBL3538145 0.83 RAB9A (0.50) CES2CES1PARP1RXFP1MEN1
SCHEMBL21387055 0.83 CES2 (0.53) CES2CES1SMN1; SMN2MEN1KMT2A
SCHEMBL15956517 0.82 CES2 (0.59) CES2SMN1; SMN2MEN1KMT2ANPSR1

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-20210101879-A1 AMYLOID PROTEIN-SELECTIVE BACE INHIBITORS (ASBIs) FOR ALZHEIMER?S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-04-08 US disclosed
US-20210101879-A1 AMYLOID PROTEIN-SELECTIVE BACE INHIBITORS (ASBIs) FOR ALZHEIMER?S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-04-08 US disclosed
EP-3759079-A1 AMYLOID PROTEIN-SELECTIVE BACE INHIBITORS (ASBIS) FOR ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-06 EP disclosed
EP-2137161-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-30 EP disclosed
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 US disclosed
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 US disclosed
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 US disclosed
WO-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
WO-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 WO 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-20210101879-A1 AMYLOID PROTEIN-SELECTIVE BACE INHIBITORS (ASBIs) FOR ALZHEIMER?S DISEASE APP, BACE1, BACE2 CES2 2574/4885CES1 781/4885PARP1 4037/4885
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP CES2 2959/4885CES1 1257/4885PARP1 1325/4885

“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.