SCHEMBL9979999

SCHEMBL9979999

COc1c(NC(=O)Nc2ccccc2Br)cccc1C(=O)N1CC(=O)N2CCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
KDM4E B2RXH2 3/20 0.37
CXCR6 O00574 1/20 0.37
P2RX7 Q99572 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTR1F P30939 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL9980000 0.87 PARP1 (0.42) SMN1; SMN2ALDH1A1PARP1PARP2KDM4E
SCHEMBL9979967 0.85 P2RX7 (0.45) SMN1; SMN2RAB9APARP1PARP2P2RX7
SCHEMBL9979976 0.76 P2RX7 (0.44) RAB9APARP1PARP2P2RX7GAA
SCHEMBL9980044 0.74 CXCR2 (0.57)
SCHEMBL9980082 0.73 SPR (0.41) HTTRAB9AKDM4EKMT2AMEN1
SCHEMBL9980030 0.73 CXCR2 (0.51) PARP1PARP2P2RX7
SCHEMBL9980080 0.71 L3MBTL3 (0.47) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL14329380 0.71 L3MBTL3 (0.47) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9980051 0.71 L3MBTL3 (0.47) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9979997 0.71 CASR (0.57) ALDH1A1HTTRAB9AKDM4EKMT2A

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 SMN1; SMN2 3342/4885ALDH1A1 589/4885HTT 4437/4885

“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.