SCHEMBL1504536

SCHEMBL1504536

O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HDAC1 Q13547 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
CREBBP Q92793 1/20 0.44
F10 P00742 2/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1504632 0.90 HDAC1 (0.48) CYP1A2CYP2C9CYP2C19HDAC1HDAC8
SCHEMBL1504508 0.90 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19HDAC1HDAC8
SCHEMBL1504667 0.90 HDAC1 (0.49) CYP1A2CYP2C9CYP2C19HDAC1HDAC8
SCHEMBL1504505 0.90 HDAC1 (0.48) CYP1A2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1504540 0.88 NPC1 (0.52) ALDH1A1MAPTMEN1KMT2AF10
SCHEMBL1504713 0.85 HDAC1 (0.46) CYP1A2CYP2C9CYP2C19HDAC1HDAC8
SCHEMBL1504630 0.84 KDM4E (0.52) CYP1A2HDAC1HDAC8HDAC6MAPT
SCHEMBL1504507 0.83 HDAC1 (0.44) CYP2C9CYP2C19HDAC1HDAC8HDAC6
SCHEMBL1504637 0.82 MAPK14 (0.44) CYP1A2CYP2C9CYP2C19HDAC1HDAC8
SCHEMBL1504759 0.81 IDH2 (0.44) ALDH1A1MAPTMEN1KMT2ACREBBP

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 CYP1A2 182/4885CYP2C9 1062/4885CYP2C19 513/4885

“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.