SCHEMBL655964

SCHEMBL655964

O=C1Cc2ccccc2Sc2ncccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
HPGD P15428 4/20 0.63
KDM4E B2RXH2 3/20 0.63
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALOX15 P16050 1/20 0.49
MAPK10 P53779 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.46
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL22472602 0.80 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL3749553 0.78 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL11324372 0.73 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ELMNAALOX15
SCHEMBL22472579 0.71 HPGD (0.42) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL14003274 0.71 ALDH1A1 (0.72) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL6714107 0.70 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL29623787 0.69 TDP2 (0.55) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL8146101 0.69 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL2762725 0.69 KMT2A (0.68) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL9100460 0.69 ALDH1A1 (0.78) ALDH1A1HPGDKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 US disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 US disclosed
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
EP-1049700-B9 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2006-05-10 EP disclosed
EP-1049700-B1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2005-11-09 EP disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-03-06 US disclosed
US-6509346-B2 Antiinflammatory agents MILLENNIUM PHARMACEUTICALS, INC. 2003-01-21 US disclosed
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
US-6329385-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, VIRAL DISEASES AND GASTROINTESTINAL DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2001-12-11 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 (9 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-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 ALDH1A1 1533/4885HPGD 377/4885KDM4E 4881/4885
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation NFATC1, ELANE, NCF1 ALDH1A1 3606/4885HPGD 449/4885KDM4E 4843/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 ALDH1A1 2010/4885HPGD 469/4885KDM4E 4878/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 ALDH1A1 2146/4885HPGD 366/4885KDM4E 4876/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 ALDH1A1 2146/4885HPGD 366/4885KDM4E 4876/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 ALDH1A1 1086/4885HPGD 308/4885KDM4E 4881/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 ALDH1A1 2146/4885HPGD 366/4885KDM4E 4876/4885
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor CCL11, ACKR3, CXCR4 ALDH1A1 1478/4885HPGD 371/4885KDM4E 4880/4885
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS ALDH1A1 389/4885HPGD 101/4885KDM4E 2100/4885

“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.