SCHEMBL430203

SCHEMBL430203

O=C(O)c1ccc(-c2ncc3c(n2)C(=O)CCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RARB P10826 1/20 0.37
RXRB P28702 3/20 0.36
RAB9A P51151 2/20 0.36
RXRA P19793 2/20 0.36
RXRG P48443 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13957108 0.89 KDM4E (0.34) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL874744 0.85 KMT2A (0.47) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL424757 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL426781 0.80 HPGDS (0.53) KDM4EMAPTL3MBTL1RAB9ANPC1
SCHEMBL6766148 0.68 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1L3MBTL1HTT
SCHEMBL427251 0.67 MAOA (0.33) ALDH1A1KDM4EL3MBTL1RAB9ANPC1
SCHEMBL30777930 0.67 MAOA (0.33) ALDH1A1KDM4EL3MBTL1RAB9ANPC1
SCHEMBL13591831 0.67 KDM4E (0.49) ALDH1A1KDM4EMAPTPOLBHTT
SCHEMBL875730 0.67 KDM4E (0.33) ALDH1A1KDM4EL3MBTL1RAB9ANPC1
SCHEMBL11191354 0.67 USP2 (0.40) RARBPDGFRBPDGFRACSNK2A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALDH1A1 3295/4885KDM4E 1966/4885MAPT 3072/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALDH1A1 3295/4885KDM4E 1966/4885MAPT 3072/4885

“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.