SCHEMBL1911204

SCHEMBL1911204

CN1CC[C@@H](NC(=O)Nc2ccccc2Oc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
PKM P14618 2/20 0.53
GAA P10253 2/20 0.53
USP30 Q70CQ3 2/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SSTR1 P30872 3/20 0.46
SSTR4 P31391 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 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
SCHEMBL14392368 1.00 RECQL (0.54) RECQLPKMGAAUSP30KDM4E
SCHEMBL357891 0.83 EPHX2 (0.67) RECQLGAAUSP30LMNAEPHX2
SCHEMBL1911203 0.83 EPHX2 (0.67) RECQLGAAUSP30LMNAEPHX2
SCHEMBL10538447 0.81 PKM (0.53) RECQLPKMGAAKDM4EPOLB
SCHEMBL356730 0.79 CTSL (0.65) USP30EPHX2KMT2ASMN1; SMN2
SCHEMBL28708243 0.75 POLB (0.58) PKMKDM4EPOLBLMNAL3MBTL1
SCHEMBL30408867 0.75 ALDH1A1 (0.60) GAASSTR1SSTR4
SCHEMBL360841 0.73 TSHR (0.43) GAAUSP30KDM4EEPHX2SSTR1
SCHEMBL14031178 0.72 L3MBTL1 (0.64) RECQLPKMGAAPOLBLMNA
SCHEMBL31616468 0.72 SIGMAR1 (0.71) KDM4EKMT2ASIGMAR1

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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 RECQL 1482/4885PKM 698/4885GAA 916/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 RECQL 1482/4885PKM 698/4885GAA 916/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 RECQL 1482/4885PKM 698/4885GAA 916/4885

“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.