SCHEMBL1153915

SCHEMBL1153915

CCCCOc1ccc(Cl)cc1C(=O)NCCc1ccc(-c2ccc(C(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
CNR2 P34972 3/20 0.47
DNMT3A Q9Y6K1 1/20 0.46
NLRP3 Q96P20 3/20 0.45
PLA2G4B P0C869 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL10182164 0.89 NPC1 (0.48) NPC1RAB9ACNR2DNMT3ANLRP3
SCHEMBL1154167 0.89 DNMT3A (0.60) NPC1RAB9AMAPTDNMT3ANLRP3
SCHEMBL1154747 0.88 PPARD (0.54) CNR2DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154726 0.87 RARB (0.55) CNR2DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154387 0.87 DNMT3A (0.55) NPC1RAB9ACNR2DNMT3ANLRP3
SCHEMBL1152314 0.86 CNR2 (0.49) CNR2DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154004 0.86 PTPN11 (0.57) CNR2DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154062 0.85 CNR2 (0.50) CNR2DNMT3ANLRP3HDAC1HDAC6
SCHEMBL1154084 0.85 DNMT3A (0.46) NPC1RAB9ACNR2DNMT3ANLRP3
SCHEMBL1154688 0.85 PTPN11 (0.59) MAPTCNR2DNMT3ANLRP3HDAC1

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 10 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 claimed
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
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
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 NPC1 329/4885RAB9A 1455/4885MAPT 284/4885

“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.