SCHEMBL9979995

SCHEMBL9979995

O=C(c1cccc([N+](=O)[O-])c1O)N1CCC2(CCNC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
CRBN Q96SW2 2/20 0.40
HPGD P15428 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HTT P42858 1/20 0.39
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.39
MGLL Q99685 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9979928 0.81 SPR (0.46) SPRCRBNCA12CA1CA2
SCHEMBL12261952 0.78 MAPT (0.54) SMN1; SMN2HPGDCA12CA1CA2
SCHEMBL14894911 0.78 POLB (0.57) SMN1; SMN2HPGDCA12CA1CA2
SCHEMBL3882151 0.74 HRH4 (0.56) SMN1; SMN2HPGDCA12CA1CA2
SCHEMBL12260740 0.74 KMT2A (0.60) SMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL9979929 0.73 SPR (0.40) SPRSMN1; SMN2CRBNHTTALDH1A1
SCHEMBL9979957 0.72 MAPK14 (0.48) SPRALDH1A1KMT2A
SCHEMBL12260742 0.72 SMN1; SMN2 (0.59) SMN1; SMN2HTTALDH1A1KMT2AL3MBTL1
SCHEMBL12261934 0.71 L3MBTL1 (0.59) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL12261942 0.71 ALDH1A1 (0.54) SMN1; SMN2HTTALDH1A1KMT2AL3MBTL1

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 3856/4885SMN1; SMN2 3342/4885CRBN 3280/4885

“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.