SCHEMBL9979997

SCHEMBL9979997

COc1c(NC(=O)Nc2ccccc2Br)cccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.57
HTT P42858 5/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 2/20 0.55
GRIK1 P39086 2/20 0.54
PYGL P06737 1/20 0.49
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RCE1 Q9Y256 1/20 0.46
CXCR1 P25024 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 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
SCHEMBL5594974 0.80 KMT2A (0.61) CASRHTTRAB9AALDH1A1KMT2A
SCHEMBL184917 0.78 HSD17B10 (0.58) CASRHTTALDH1A1HPGDKDM4E
SCHEMBL9979973 0.77 CASR (0.54) CASRHTTRAB9AALDH1A1KMT2A
SCHEMBL13235126 0.76 HTT (0.81) HTTRAB9AALDH1A1KMT2AMEN1
SCHEMBL5594932 0.76 KMT2A (0.61) HTTRAB9AALDH1A1KMT2AMEN1
SCHEMBL21091041 0.76 CASR (0.53) CASRHTTALDH1A1KMT2AMEN1
SCHEMBL24074614 0.73 CASR (0.55) CASRALDH1A1KMT2AMEN1LMNA
SCHEMBL7607973 0.73 CASR (0.52) CASRHTTALDH1A1KMT2AMEN1
SCHEMBL14471819 0.73 CASR (1.00) CASRALDH1A1KDM4EGAA
SCHEMBL39857 0.73 ALDH1A1 (0.55) CASRHTTALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651891-B1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, CCR1 CASR 4181/4885HTT 4437/4885RAB9A 4151/4885

“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.