SCHEMBL14498012

SCHEMBL14498012

CNCc1c2ccccc2c(CNC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.49
▸ NAMPT P43490 2/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ KCNA5 P22460 1/20 0.42

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
SCHEMBL12685839 0.81 L3MBTL1 (0.56) KDM4ANAMPTHDAC10HDAC6GAA
SCHEMBL3838871 0.79 CA12 (0.63) KDM4ANAMPTMEN1RAB9AKMT2A
SCHEMBL16181822 0.79 GLS (0.55) KDM4ANAMPTCA12CA1CA7
SCHEMBL21939689 0.78 KDM4A (0.52) KDM4ANAMPTCYP1A2HDAC10HDAC6
SCHEMBL16747787 0.78 PARP1 (0.44) KDM4ANAMPTCYP1A2HDAC10HDAC6
SCHEMBL5571439 0.77 HTR2C (0.39) MEN1NPC1GAARAB9AKMT2A
SCHEMBL976700 0.77 MAOA (0.55) CA12CA1
SCHEMBL3244389 0.77 MAOA (0.55) CA12CA1
SCHEMBL8018113 0.77 KCNA5 (0.56) KDM4ANAMPTHDAC10HDAC6MEN1
SCHEMBL30159605 0.77 KCNA5 (0.56) KDM4ANAMPTHDAC10HDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070140973-A1 CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2007-06-21 — — US disclosed
US-20070140973-A1 CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2007-06-21 — — 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 (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-20070140973-A1 CONTRAST AGENTS FOR MYOCARDIUM PERFUSION IMAGING TNNI3, TNNT2, TNNC1 KDM4A 4252/4885NAMPT 1898/4885CYP1A2 4816/4885

“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.

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