SCHEMBL9980059

SCHEMBL9980059

O=C(c1cccc([N+](=O)[O-])c1O)N1CCN2C(=O)CCC2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.44
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR35 Q9HC97 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9980046 0.82 SPR (0.46) SPRCA12CA1CA2CA7
SCHEMBL9980042 0.80 MAPT (0.48) SPRMAPTHPGDHTTKMT2A
SCHEMBL9979985 0.80 MAPT (0.48) SPRMAPTHPGDHTTKMT2A
SCHEMBL9980019 0.80 MAPT (0.48) SPRMAPTHPGDHTTKMT2A
SCHEMBL14894816 0.78 HTT (0.49) MAPTHPGDCA12CA1CA2
SCHEMBL16163703 0.78 HTT (0.49) MAPTHPGDCA12CA1CA2
SCHEMBL12260704 0.78 HTT (0.49) MAPTHPGDCA12CA1CA2
SCHEMBL984361 0.77 MEN1 (0.52) SPRCA12CA1CA2CA7
SCHEMBL984360 0.77 MEN1 (0.52) SPRCA12CA1CA2CA7
SCHEMBL985136 0.77 MEN1 (0.52) SPRCA12CA1CA2CA7

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 SPR 3856/4885MAPT 4497/4885HPGD 356/4885

“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.