SCHEMBL1504739

SCHEMBL1504739

O=C(Nc1cc(NC(=O)C2CC2)ccc1Br)c1ccc(=O)n(-c2c(F)cccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAPK14 Q16539 2/20 0.38
GSK3B P49841 4/20 0.38
GSK3A P49840 3/20 0.38
MAPT P10636 3/20 0.38
F2R P25116 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL1504642 0.90 KMT2A (0.51) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL1504542 0.89 CASP3 (0.45) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL1504748 0.89 MGLL (0.44) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL1504789 0.83 MAPK14 (0.47) KMT2AMAPK14
SCHEMBL1504699 0.82 HDAC1 (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL1504566 0.81 HDAC1 (0.49) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL1504583 0.81 MAPT (0.44) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL2673907 0.79 MAPK14 (0.48) KMT2AMEN1MAPK14MAPT
SCHEMBL1504559 0.78 MAPK14 (0.52) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL1504668 0.78 HDAC1 (0.42) KMT2AMEN1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 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 (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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 KMT2A 338/4885MEN1 4446/4885SMN1; SMN2 4809/4885

“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.