SCHEMBL2876142

SCHEMBL2876142

CN(C)C(=O)Sc1cc(Br)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 1/20 0.41
NCEH1 Q6PIU2 2/20 0.41
HPGD P15428 3/20 0.40
HTT P42858 1/20 0.40
PTPRC P08575 1/20 0.40
PTPRG P23470 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL17964043 0.80 NCEH1 (0.41) ALDH1A1CYP1A2NCEH1LMNAKDM4E
SCHEMBL2470201 0.79 PTPRC (0.45) ALDH1A1NCEH1PTPRCPTPRGLMNA
SCHEMBL4071298 0.78 NCEH1 (0.41) ALDH1A1NCEH1HPGDLMNATDP1
SCHEMBL7387527 0.78 ERN1 (0.46) ALDH1A1NCEH1LMNAKDM4EKMT2A
SCHEMBL11325519 0.77 APEX1 (0.37) ALDH1A1HPGDHTTLMNAAPEX1
SCHEMBL2473574 0.75 KDM4E (0.46) ALDH1A1CYP1A2NCEH1HPGDLMNA
SCHEMBL10824330 0.75 IDO1 (0.47) ALDH1A1HPGDHTTKDM4EKMT2A
SCHEMBL2468670 0.75 NR4A2 (0.43) ALDH1A1CYP1A2NCEH1HPGDHTT
SCHEMBL834628 0.74 POLB (0.43) ALDH1A1CYP1A2NCEH1LMNAKMT2A
SCHEMBL21189483 0.73 ALDH1A1 (0.47) ALDH1A1CYP1A2NCEH1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014870-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-01-19 US disclosed
CN-114555620-A Novel galactoside inhibitors of galectins 格莱克特生物技术公司 2022-05-27 CN disclosed
WO-2021001528-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (SE) 2021-01-07 WO disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 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 (5 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-20230014870-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 ALDH1A1 979/4885CYP1A2 2108/4885NCEH1 1836/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 ALDH1A1 951/4885CYP1A2 2216/4885NCEH1 852/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 ALDH1A1 951/4885CYP1A2 2216/4885NCEH1 852/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 ALDH1A1 788/4885CYP1A2 2214/4885NCEH1 737/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ALDH1A1 951/4885CYP1A2 2216/4885NCEH1 852/4885

“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.