SCHEMBL1154072

SCHEMBL1154072

N#Cc1ccccc1-c1ccc(CCNC(=O)c2cc(Cl)ccc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.52
MAPT P10636 3/20 0.50
PTGS1 P23219 1/20 0.50
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SYK P43405 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
GSK3B P49841 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45

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
SCHEMBL1154126 0.84 TMPRSS4 (0.59) CDK1MAPTPTGS1LMNAGAA
SCHEMBL10305273 0.84 CDK1 (0.55) CDK1MAPTPTGS1LMNAGAA
SCHEMBL1153954 0.83 CDK1 (0.54) CDK1MAPTPTGS1LMNAGAA
SCHEMBL10305289 0.78 CDK1 (0.56) CDK1MAPTPTGS1LMNAGAA
SCHEMBL10305264 0.78 CDK1 (0.55) CDK1MAPTPTGS1LMNAGAA
SCHEMBL23675417 0.77 P2RX1 (0.60) CDK1MAPTPTGS1LMNAGAA
SCHEMBL13812600 0.77 LTA4H (0.61) CDK1MAPTPTGS1LMNAGAA
SCHEMBL1154127 0.75 MAPT (0.58) CDK1MAPTPTGS1GAASYK
SCHEMBL13812596 0.74 THRB (0.58) CDK1MAPTPTGS1LMNAGAA
SCHEMBL13812597 0.74 THRB (0.58) CDK1MAPTPTGS1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP claimed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US claimed
EP-2215065-A1 CCR10 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP claimed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO claimed
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
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

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 CDK1 223/4885MAPT 284/4885PTGS1 1921/4885

“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.