SCHEMBL655925

SCHEMBL655925

NCC(N)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TSHR P16473 3/20 0.46
CYP1A2 P05177 2/20 0.46
NFKB1 P19838 2/20 0.46
MAOB P27338 1/20 0.46
GSK3B P49841 2/20 0.45
ALOX15 P16050 1/20 0.45
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C9 P11712 3/20 0.44
BLM P54132 2/20 0.44
CYP2D6 P10635 2/20 0.44

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
SCHEMBL653562 0.85 TSHR (0.47) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL16234916 0.82 HTT (0.51) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL11619590 0.82 SLC6A3 (0.41) LMNAKDM4EALDH1A1MAPTTSHR
SCHEMBL28832980 0.80 CES2 (0.46) LMNAALDH1A1MAPTCES2CES1
SCHEMBL10789880 0.80 LMNA (0.48) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL9632460 0.79 MDM2 (0.48) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL6200321 0.79 CES2 (0.54) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL10964872 0.77 CES2 (0.52) LMNAKDM4EALDH1A1MAPTL3MBTL1
Nitrogen SCHEMBL28162870 0.76 MDM2 (0.46) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL28859465 0.76 CA1 (0.53) LMNAALDH1A1CES2CES1CYP1A2

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 32 patents — showing the first 20. 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
CN-104031054-A Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC 2014-09-10 CN disclosed
CN-1585772-B chemokine receptor antagonists and methods and uses thereof MILLENNIUM PHARM INC 2014-06-04 CN 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-20020161005-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-10-31 US disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
EP-1204664-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
EP-1204665-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
EP-1204640-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
EP-1202985-A2 CHEMOKINE RECEPTOR ANTAGONISTS Millennium Pharmaceuticals, Inc. (US) 2002-05-08 EP disclosed
WO-2001009137-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-2001009094-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-2001009119-A2 CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
WO-2001009138-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 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 (6 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 LMNA 4647/4885KDM4E 4881/4885ALDH1A1 1533/4885
US-20020161005-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 LMNA 4648/4885KDM4E 4880/4885ALDH1A1 1478/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 LMNA 4640/4885KDM4E 4878/4885ALDH1A1 2010/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 LMNA 4626/4885KDM4E 4876/4885ALDH1A1 2146/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 LMNA 4626/4885KDM4E 4876/4885ALDH1A1 2146/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 LMNA 4626/4885KDM4E 4876/4885ALDH1A1 2146/4885

“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.