SCHEMBL4112154

SCHEMBL4112154

CC1(C)OB(c2ccc(C(=O)NC3CCCC3)cc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 2/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
EPHX2 P34913 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL1962378 0.99 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL103893 0.94 CA1 (0.51) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL26087371 0.89 CA1 (0.47) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL5197638 0.89 CA1 (0.47) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL26087369 0.89 CA1 (0.47) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL1989732 0.87 HDAC4 (0.48) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL15739735 0.86 CA1 (0.49) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL25288985 0.85 HPGDS (0.51) CA1CA2CA9
SCHEMBL25239061 0.85 HPGDS (0.51) CA1CA2CA9
SCHEMBL2434880 0.84 NAMPT (0.47) NPC1RAB9AKMT2ACA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858982-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
WO-2013185284-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-12-19 WO disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
EP-1934223-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Novartis Pharma AG (CH) 2008-06-25 EP disclosed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 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-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 MAP4K2, MAPKAPK2, MAP3K2 NPC1 3440/4885RAB9A 1133/4885SMN1; SMN2 3262/4885

“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.