SCHEMBL2870710

SCHEMBL2870710

CCOc1cc(Br)cc(OCC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.43
LMNA P02545 3/20 0.41
TSHR P16473 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
IGF1R P08069 1/20 0.36
HTT P42858 1/20 0.36
GRM5 P41594 1/20 0.36
CYP3A4 P08684 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
SCHEMBL19701752 0.92 ENPP1 (0.41) GPR35LMNATSHRHSD17B10MAPT
SCHEMBL11948620 0.80 TSHR (0.57) GPR35LMNATSHRHSD17B10KDM4E
SCHEMBL11948619 0.78 GPR35 (0.49) GPR35LMNATSHRHSD17B10MAPT
SCHEMBL20643073 0.77 LMNA (0.43) LMNAMAPTL3MBTL1RAB9AATM
SCHEMBL2848535 0.77 TSHR (0.47) LMNATSHRHPGDMAPTL3MBTL1
SCHEMBL21823599 0.77 ALDH1A1 (0.55) LMNAHSD17B10HPGDMAPTL3MBTL1
SCHEMBL22063126 0.77 ENPP1 (0.44) LMNAHSD17B10HPGDMAPTL3MBTL1
SCHEMBL16071634 0.76 TSHR (0.42) LMNATSHRHSD17B10HPGDMAPT
SCHEMBL189068 0.75 GRM5 (0.44) LMNATSHRHSD17B10HPGDMAPT
SCHEMBL1748493 0.74 HTT (0.40) LMNATSHRHPGDRAB9ASMN1; SMN2

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
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-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
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 (4 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 GPR35 33/4885LMNA 4351/4885TSHR 2545/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 GPR35 33/4885LMNA 4351/4885TSHR 2545/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 GPR35 41/4885LMNA 4218/4885TSHR 2351/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 GPR35 33/4885LMNA 4351/4885TSHR 2545/4885

“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.