SCHEMBL9979929

SCHEMBL9979929

O=C(Nc1ccccc1Br)Nc1cccc(C(=O)N2CCC3(CCNC3=O)CC2)c1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.40
CXCR2 P25025 10/20 0.40
CXCR1 P25024 8/20 0.40
HTT P42858 3/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CRBN Q96SW2 1/20 0.37
ADRA1D P25100 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9979940 0.86 LMNA (0.41) SPRCXCR2MEN1LMNAKMT2A
SCHEMBL9979957 0.85 MAPK14 (0.48) SPRCXCR2MEN1LMNAKMT2A
SCHEMBL9980036 0.84 CXCR2 (0.52) CXCR2
SCHEMBL9979928 0.77 SPR (0.46) SPRCRBN
SCHEMBL9979995 0.73 SPR (0.44) SPRHTTKMT2ASMN1; SMN2CRBN
SCHEMBL30515699 0.73 CXCR2 (0.47) SPRCXCR2CXCR1
SCHEMBL9980065 0.73 CXCR2 (0.47) SPRCXCR2CXCR1
SCHEMBL9980086 0.71 CXCR2 (0.74) CXCR2CXCR1
SCHEMBL9979984 0.71 CXCR2 (0.74) CXCR2CXCR1
SCHEMBL9980082 0.70 SPR (0.41) SPRCXCR2CXCR1HTTRAB9A

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 4 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-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 SPR 3856/4885CXCR2 1/4885CXCR1 5/4885

“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.