SCHEMBL9948432

SCHEMBL9948432

COCc1cc(F)cc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.43
MAOB P27338 4/20 0.35
TACR1 P25103 1/20 0.31
AGXT P21549 2/20 0.31
PTPN1 P18031 1/20 0.31
AKR1B1 P15121 1/20 0.30
GRM5 P41594 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL31242320 1.00 IDO1 (0.43) IDO1MAOBTACR1AGXTPTPN1
SCHEMBL4801258 0.84 IDO1 (0.56) IDO1MAOBTACR1AGXTPTPN1
SCHEMBL4798553 0.84 IDO1 (0.58) IDO1MAOBAGXTGRM5CYP4F2
SCHEMBL3587231 0.84 IDO1 (0.50) IDO1MAOBTACR1AGXTPTPN1
SCHEMBL16954058 0.77 IDO1 (0.45) IDO1MAOBTACR1AGXT
SCHEMBL16951081 0.77 TACR1 (0.49) IDO1MAOBTACR1AGXT
SCHEMBL3942239 0.76 IDO1 (0.37) IDO1MAOB
SCHEMBL12200375 0.76 LMNA (0.34) IDO1MAOBAKR1B1
SCHEMBL16954773 0.75 IDO1 (0.43) IDO1
SCHEMBL2016467 0.75 IDO1 (0.47) IDO1MAOBTACR1AGXT

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
WO-2013054108-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-18 WO disclosed
WO-2013054108-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-18 WO disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 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 (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-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP IDO1 1511/4885MAOB 75/4885TACR1 1223/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP IDO1 1511/4885MAOB 75/4885TACR1 1223/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP IDO1 1511/4885MAOB 75/4885TACR1 1223/4885

“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.