SCHEMBL1630976

SCHEMBL1630976

Nc1ccc(Cl)cc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
PPP1CA P62136 1/20 0.46
GRM5 P41594 1/20 0.46
KDM4E B2RXH2 3/20 0.45
METAP1 P53582 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3091852 0.86 NPC1 (0.50) CCR1CCR5CCR8NPC1ALDH1A1
SCHEMBL7576751 0.81 CCR1 (0.53) IDO1CCR1CCR5CCR8NPC1
SCHEMBL462513 0.81 KDM1A (0.49) CCR1CCR5CCR8NPC1ALDH1A1
Hydrochloric Acid SCHEMBL7085962 0.80 KDM1A (0.48) CCR1CCR5CCR8NPC1ALDH1A1
Hydrochloric Acid SCHEMBL7085954 0.80 KDM1A (0.48) CCR1CCR5CCR8NPC1ALDH1A1
SCHEMBL29901533 0.80 CCR1 (0.52) CCR1CCR5CCR8NPC1ALDH1A1
Hydrochloric Acid SCHEMBL7085964 0.80 KDM1A (0.48) CCR1CCR5CCR8NPC1ALDH1A1
SCHEMBL28115227 0.80 CCR1 (0.52) CCR1CCR5CCR8NPC1ALDH1A1
SCHEMBL4188067 0.80 GRM5 (0.72) NPC1ALDH1A1MAPTRAB9APKM
SCHEMBL10714533 0.79 NPC1 (0.58) IDO1CCR1CCR5CCR8NPC1

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
EP-3180317-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-06-21 EP disclosed
WO-2016015593-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 WO disclosed
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-7932252-B2 CCR9 chemokine receptor modulators; treating inflammatory and immune diseases; inhibit the binding of chemokines, such as TECK (thymus-expressed chemokine), to the CCR9 receptor; 1-arylsulfonamido-2-aryl(alkyl)benzene compounds CHEMOCENTRYX, INC. (US) 2011-04-26 US disclosed
US-7932252-B2 CCR9 chemokine receptor modulators; treating inflammatory and immune diseases; inhibit the binding of chemokines, such as TECK (thymus-expressed chemokine), to the CCR9 receptor; 1-arylsulfonamido-2-aryl(alkyl)benzene compounds CHEMOCENTRYX, INC. (US) 2011-04-26 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
EP-1748989-A2 ARYL SULFONAMIDES ChemoCentryx Inc (US) 2007-02-07 EP disclosed
WO-2005113513-A2 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2005-12-01 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 (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-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 IDO1 469/4885CCR1 5/4885CCR5 7/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 IDO1 474/4885CCR1 3/4885CCR5 9/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 IDO1 469/4885CCR1 5/4885CCR5 7/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 IDO1 469/4885CCR1 5/4885CCR5 7/4885

“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.