SCHEMBL2498341

SCHEMBL2498341

CCOC(=O)Nc1c(C(=O)OCC)oc2ccc(Cl)cc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.82
MAPK1 P28482 2/20 0.62
MAOB P27338 1/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 6/20 0.52
TSHR P16473 5/20 0.52
HIF1A Q16665 2/20 0.51
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL13102731 0.94 KDM4E (0.73) KDM4EMAPK1MAOBNPSR1MEN1
SCHEMBL13102697 0.85 ALDH1A1 (0.66) KDM4ENPSR1MEN1KMT2ALMNA
SCHEMBL13149518 0.85 POLB (0.63) KDM4EMAPK1MEN1KMT2AMAPT
SCHEMBL13102716 0.84 KDM4E (0.60) KDM4EMAPK1MAOBNPSR1MEN1
SCHEMBL13102724 0.83 KDM4E (0.59) KDM4EMAPK1MAOBNPSR1MEN1
SCHEMBL9378819 0.82 KDM4E (0.69) KDM4EMAOBMAPTALDH1A1TSHR
SCHEMBL15074248 0.81 KDM4E (0.56) KDM4ENPSR1MEN1KMT2ALMNA
SCHEMBL758464 0.81 KDM4E (0.67) KDM4EMAPK1MAOBMAPTALDH1A1
SCHEMBL10899711 0.81 KDM4E (0.67) KDM4EMAPK1MAOBMEN1KMT2A
SCHEMBL1854495 0.80 KDM4E (0.73) KDM4EMAPK1MAOBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040549-B1 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-8030321-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2011-10-04 US disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor CHAVEZ FRANK 2009-12-31 US disclosed
US-7576092-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
EP-2040549-A2 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-01 EP disclosed
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
WO-2008008359-A2 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 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 (3 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-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 KDM4E 1224/4885MAPK1 3662/4885MAOB 1817/4885
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 KDM4E 1224/4885MAPK1 3662/4885MAOB 1817/4885
US-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 KDM4E 1206/4885MAPK1 1428/4885MAOB 989/4885

“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.