SCHEMBL534703

SCHEMBL534703

N#CCc1cc(F)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.40
MPO P05164 1/20 0.34
SLC6A4 P31645 1/20 0.34
DPP4 P27487 1/20 0.33
PKM P14618 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
CYP2A6 P11509 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
FFAR1 O14842 1/20 0.31
TSPO P30536 1/20 0.31
DRD3 P35462 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL30814733 1.00 CSNK2A1 (0.40) CSNK2A1MPOSLC6A4DPP4PKM
SCHEMBL160087 0.84 CSNK2A1 (0.40) CSNK2A1MPOSLC6A4PKMMAPT
SCHEMBL31248059 0.81 MPO (0.42) MPOSLC6A4DPP4PKMMAPT
SCHEMBL29618975 0.79 PSEN1 (0.40) MPOSLC6A4DPP4ALDH1A1CYP2A6
SCHEMBL1020440 0.79 PSEN1 (0.40) MPOSLC6A4DPP4ALDH1A1CYP2A6
SCHEMBL28856582 0.79 CSNK2A1 (0.51) CSNK2A1PKMALDH1A1CYP2A6MAOB
SCHEMBL669166 0.77 CSNK2A1 (0.33) CSNK2A1MPOSLC6A4MAOAMAOB
SCHEMBL957181 0.76 SLC6A4 (0.40) MPOSLC6A4MAPTALDH1A1HTT
SCHEMBL3067018 0.76 ESR1 (0.40) MPOSLC6A4MAPTALDH1A1TDP1
SCHEMBL22904292 0.76 MAOA (0.41) MPOSLC6A4DPP4MAOAMAOB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 EP disclosed
WO-2022117059-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF 瑞石生物医药有限公司 2022-06-09 WO disclosed
EP-2488028-B1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2020-08-19 EP disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2011046771-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2011-04-21 WO disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 CSNK2A1 4458/4885MPO 829/4885SLC6A4 2645/4885
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, TP53BP1, MDM2 CSNK2A1 1866/4885MPO 4086/4885SLC6A4 4519/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 CSNK2A1 2022/4885MPO 3820/4885SLC6A4 4522/4885

“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.