SCHEMBL652026

SCHEMBL652026

O=c1c2cc([N+](=O)[O-])ccc2oc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM1A O60341 1/20 0.48
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46

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
SCHEMBL13402246 0.81 KDM4E (0.60) MAPTMEN1KMT2AKDM1AGABRP
SCHEMBL9189119 0.81 KDM1A (0.61) MAPTMEN1KMT2AKDM1AGABRP
SCHEMBL6524056 0.80 MAPT (0.69) MAPTMEN1KMT2AKDM1AGABRP
SCHEMBL6845282 0.77 KDM4E (0.43) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL570295 0.77 KMT2A (0.47) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL653724 0.77 RAB9A (0.62) MAPTMEN1KMT2ACSNK2A2CSNK2B
SCHEMBL11544426 0.76 NPC1 (0.45) MAPTMEN1KMT2AKDM1AGABRP
SCHEMBL30593474 0.76 KDM4E (0.64) MAPTMEN1KMT2APARP1NPC1
SCHEMBL30641650 0.76 KDM4E (0.64) MAPTMEN1KMT2APARP1NPC1
SCHEMBL654368 0.76 KDM4E (0.64) MAPTMEN1KMT2APARP1NPC1

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
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
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
EP-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 WO 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
EP-1204665-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP 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 (8 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 MAPT 4707/4885MEN1 4193/4885KMT2A 4608/4885
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 MAPT 4415/4885MEN1 2347/4885KMT2A 3725/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 MAPT 4720/4885MEN1 4167/4885KMT2A 4480/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MAPT 4776/4885MEN1 4716/4885KMT2A 4568/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MAPT 4776/4885MEN1 4716/4885KMT2A 4568/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 MAPT 4775/4885MEN1 4609/4885KMT2A 4640/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MAPT 4776/4885MEN1 4716/4885KMT2A 4568/4885
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor CCL11, ACKR3, CXCR4 MAPT 4715/4885MEN1 4202/4885KMT2A 4625/4885

“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.