SCHEMBL516909

SCHEMBL516909

COc1ccc(CNc2ccc(S(=O)(=O)NC3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
FBP1 P09467 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL516910 1.00 CNR1 (0.47) CNR1MAPTLMNAMEN1KMT2A
SCHEMBL1908602 0.92 MAPT (0.47) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL516948 0.81 ALDH1A1 (0.50) CNR1MEN1KMT2APOLBKDM4E
SCHEMBL516949 0.81 ALDH1A1 (0.50) CNR1MEN1KMT2APOLBKDM4E
SCHEMBL516919 0.80 MAPT (0.53) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL516920 0.80 MAPT (0.53) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL517554 0.80 ALDH1A1 (0.56) MAPTLMNAMEN1KMT2APOLB
SCHEMBL517555 0.80 ALDH1A1 (0.56) MAPTLMNAMEN1KMT2APOLB
SCHEMBL517108 0.76 ALDH3A1 (0.44) CNR1LMNAKMT2APOLBSMN1; SMN2
SCHEMBL517107 0.76 ALDH3A1 (0.44) CNR1LMNAKMT2APOLBSMN1; SMN2

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
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
CN-103339111-A Bicyclic acetyl-CoA carboxylase inhibitors NOVARTIS AG 2013-10-02 CN disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US 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 (2 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CNR1 1187/4885MAPT 1271/4885LMNA 2697/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CNR1 1187/4885MAPT 1271/4885LMNA 2697/4885

“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.