SCHEMBL653724

SCHEMBL653724

Nc1ccc2oc3cccnc3c(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
NPC1 O15118 8/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
MAPT P10636 5/20 0.62
GFER P55789 1/20 0.62
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 4/20 0.51
HPGD P15428 3/20 0.51
MAPK1 P28482 1/20 0.46
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MAOA P21397 2/20 0.40
GAA P10253 1/20 0.38
ADRB2 P07550 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
PGAM1 P18669 1/20 0.38

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
SCHEMBL17490121 0.87 NPC1 (0.58) RAB9ANPC1SMN1; SMN2MAPTGFER
SCHEMBL6845282 0.82 KDM4E (0.43) RAB9ANPC1SMN1; SMN2MAPTGFER
SCHEMBL570295 0.82 KMT2A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL30641650 0.80 KDM4E (0.64) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL30593474 0.80 KDM4E (0.64) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL654368 0.80 KDM4E (0.64) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2763220 0.78 PON1 (0.44) RAB9ANPC1SMN1; SMN2MAPTGFER
SCHEMBL14076685 0.78 CA12 (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4381356 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTGFER
SCHEMBL17490113 0.78 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2MAPTGFER

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 15 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-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
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

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 RAB9A 2658/4885NPC1 622/4885SMN1; SMN2 4214/4885
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 RAB9A 1801/4885NPC1 192/4885SMN1; SMN2 410/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 RAB9A 2306/4885NPC1 706/4885SMN1; SMN2 4289/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 RAB9A 1928/4885NPC1 892/4885SMN1; SMN2 3635/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 RAB9A 1928/4885NPC1 892/4885SMN1; SMN2 3635/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 RAB9A 1842/4885NPC1 561/4885SMN1; SMN2 3298/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 RAB9A 1928/4885NPC1 892/4885SMN1; SMN2 3635/4885
US-20030045516-A1 Chemokine receptor antagonists and methods of use therefor CCL11, ACKR3, CXCR4 RAB9A 2577/4885NPC1 628/4885SMN1; SMN2 4285/4885

“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.