SCHEMBL2875670

SCHEMBL2875670

O=C(c1ccccc1)c1cc(Cl)ccc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.65
ALDH1A1 P00352 3/20 0.55
MITF O75030 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TLR9 Q9NR96 1/20 0.55
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
NR4A1 P22736 1/20 0.51
S100B P04271 1/20 0.51
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50

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
SCHEMBL21362614 0.89 TP53 (0.52) TP53MAPTNR4A1MEN1KMT2A
SCHEMBL28157462 0.83 NR4A1 (0.61) TP53ALDH1A1MITFHSP90AA1HTT
SCHEMBL230930 0.81 ALDH1A1 (0.63) TP53ALDH1A1MITFHSP90AA1HTT
SCHEMBL935966 0.81 MAPT (0.71) ALDH1A1HTTNPSR1MAPTSMN1; SMN2
SCHEMBL29612638 0.81 ALDH1A1 (0.63) TP53ALDH1A1MITFHSP90AA1HTT
SCHEMBL95155 0.80 MAPT (0.66) TP53ALDH1A1MITFHSP90AA1HTT
SCHEMBL3956037 0.80 NR4A1 (0.68) TP53ALDH1A1MITFHSP90AA1HTT
SCHEMBL30484136 0.80 RECQL (0.67) ALDH1A1MITFHSP90AA1HTTATM
SCHEMBL31000389 0.80 RECQL (0.67) ALDH1A1MITFHSP90AA1HTTATM
SCHEMBL4712301 0.80 NR4A1 (0.68) TP53ALDH1A1MITFHSP90AA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
CN-1867336-B 1-aryl-4-substituted piperazines derivatives and pharmaceutical use thereof CHEMOCENTRYX INC 2010-05-12 CN disclosed
CN-1867336-A 1-aryl-4-substituted piperazines derivatives for use as CCR1 antagonists for the treatment of inflammation and immune disorders CHEMOCENTRYX INC (US) 2006-11-22 CN 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
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed
US-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 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-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 TP53 2720/4885ALDH1A1 788/4885MITF 1678/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 TP53 3653/4885ALDH1A1 951/4885MITF 1317/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 TP53 3653/4885ALDH1A1 951/4885MITF 1317/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 TP53 2720/4885ALDH1A1 788/4885MITF 1678/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 TP53 3653/4885ALDH1A1 951/4885MITF 1317/4885

“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.