SCHEMBL440604

SCHEMBL440604

COC(=O)c1cn(-c2ccccc2F)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.66
KMT2A Q03164 10/20 0.62
MEN1 O00255 4/20 0.56
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
POLB P06746 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL17782448 0.83 NR4A2 (0.70) NR4A2KMT2AMEN1MAPTLMNA
SCHEMBL4137522 0.83 NR4A2 (0.66) NR4A2KMT2AMEN1MAPTLMNA
SCHEMBL2000654 0.81 NR4A2 (0.63) NR4A2KMT2AMEN1MAPTLMNA
SCHEMBL6298233 0.80 NR4A2 (0.61) NR4A2KMT2AMEN1MAPTLMNA
SCHEMBL408819 0.80 NR4A2 (1.00) NR4A2KMT2AMEN1MAPTLMNA
SCHEMBL13209353 0.77 NR4A2 (0.65) NR4A2KMT2AMEN1MAPTLMNA
SCHEMBL408830 0.76 HDAC1 (0.49) MAPTLMNAPOLBGAASMN1; SMN2
SCHEMBL4239994 0.76 NR4A2 (0.60) NR4A2KMT2AMEN1MAPTLMNA
SCHEMBL4243232 0.76 NR4A2 (0.56) NR4A2KMT2AMEN1MAPTLMNA
SCHEMBL15558170 0.76 NR4A2 (0.69) NR4A2KMT2AMEN1MAPTLMNA

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT NR4A2 1041/4885KMT2A 667/4885MEN1 4411/4885

“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.