SCHEMBL1154615

SCHEMBL1154615

COc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.67
NLRP3 Q96P20 3/20 0.63
HDAC1 Q13547 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
MAPK1 P28482 1/20 0.56

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
SCHEMBL3655099 0.88 DNMT3A (0.77) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154127 0.85 MAPT (0.58) DNMT3AMAPK1
SCHEMBL11687781 0.84 DNMT3A (0.93) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1153738 0.82 DNMT3A (0.73) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL3784241 0.81 DNMT3A (0.80) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL8261934 0.81 DNMT3A (0.84) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL14527393 0.81 GAA (0.55) MAPK1
SCHEMBL11358623 0.81 DNMT3A (0.82) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL29808416 0.81 DNMT3A (1.00) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL18029599 0.81 DNMT3A (0.82) DNMT3ANLRP3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP disclosed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
EP-2215065-A1 CCR10 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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 (1 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-20110039851-A1 CCR10 ANTAGONISTS CCR10, CCR1, CCR4 DNMT3A 4688/4885NLRP3 648/4885HDAC1 722/4885

“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.