SCHEMBL1153717

SCHEMBL1153717

NC(=O)c1ccccc1-c1ccc(CCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.57
KMT2A Q03164 1/20 0.54
DNMT3A Q9Y6K1 1/20 0.53
PTGER1 P34995 2/20 0.50
NLRP3 Q96P20 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.48
LRRK2 Q5S007 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KCNA3 P22001 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CNR1 P21554 1/20 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
SCHEMBL1154083 0.87 DNMT3A (0.68) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154868 0.87 DNMT3A (0.52) AKR1C3DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1153954 0.83 CDK1 (0.54) KMT2ADNMT3ANLRP3LMNAMAPT
SCHEMBL1153994 0.81 AKR1C3 (0.51) AKR1C3KMT2ADNMT3APTGER1NLRP3
SCHEMBL1153970 0.80 PPARA (0.59) AKR1C3KMT2ADNMT3AMAPTHDAC1
SCHEMBL1153667 0.79 AKR1C3 (0.53) AKR1C3KMT2ADNMT3APTGER1NLRP3
SCHEMBL1153939 0.79 AKR1C3 (0.55) AKR1C3KMT2ADNMT3ANLRP3LMNA
SCHEMBL10305303 0.79 AKR1C3 (0.52) AKR1C3KMT2ADNMT3APTGER1NLRP3
SCHEMBL3729989 0.79 PTGER1 (0.64) KMT2APTGER1LRRK2CNR1
SCHEMBL1154735 0.78 DNMT3A (0.60) AKR1C3KMT2ADNMT3APTGER1NLRP3

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 AKR1C3 680/4885KMT2A 3531/4885DNMT3A 4688/4885

“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.