SCHEMBL517110

SCHEMBL517110

CC(C)(C)c1nnc([C@H]2CC[C@H](NS(=O)(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC2)o1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 3/20 0.45
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
WNK1 Q9H4A3 2/20 0.39
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.38
VCAM1 P19320 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 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
SCHEMBL517109 1.00 LMNA (0.50) LMNAMEN1KMT2AMAPTL3MBTL1
SCHEMBL517081 0.82 VCAM1 (0.46) LMNAMEN1KMT2AMAPTPKM
SCHEMBL517082 0.82 VCAM1 (0.46) LMNAMEN1KMT2AMAPTPKM
SCHEMBL15793149 0.74 GNRHR (0.48) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL516685 0.74 CA1 (0.40) LMNAKMT2ATDP1HTT
SCHEMBL516684 0.74 CA1 (0.40) LMNAKMT2ATDP1HTT
SCHEMBL516920 0.73 MAPT (0.53) LMNAMEN1KMT2AMAPTL3MBTL1
SCHEMBL516919 0.73 MAPT (0.53) LMNAMEN1KMT2AMAPTL3MBTL1
SCHEMBL10269830 0.72 MAPK1 (0.41) LMNAMEN1KMT2AMAPTPKM
SCHEMBL15793658 0.70 IDH2 (0.43) HTT

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 11 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
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US 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
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 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 (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 LMNA 2697/4885MEN1 3950/4885KMT2A 2537/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY LMNA 2697/4885MEN1 3950/4885KMT2A 2537/4885

“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.