SCHEMBL1504801

SCHEMBL1504801

Cc1cccc(C)c1-n1cc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Br)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
CREBBP Q92793 1/20 0.44
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HDAC2 Q92769 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 2/20 0.41
PPARG P37231 1/20 0.41
CNR2 P34972 1/20 0.41
RIPK2 O43353 1/20 0.41
KMT2A Q03164 4/20 0.40
POLB P06746 2/20 0.40
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40

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
SCHEMBL1504736 0.90 HDAC1 (0.51) HDAC1HDAC8HDAC6CREBBPTP53
SCHEMBL1504508 0.88 CYP1A2 (0.50) HDAC1HDAC8HDAC6CREBBPTP53
SCHEMBL1504566 0.88 HDAC1 (0.49) HDAC1HDAC8HDAC6CREBBPTP53
SCHEMBL1504667 0.88 HDAC1 (0.49) HDAC1HDAC8HDAC6CREBBPTP53
SCHEMBL1504628 0.85 MAPK14 (0.46) HDAC1HDAC8HDAC6
SCHEMBL1504536 0.78 CYP1A2 (0.53) HDAC1HDAC8HDAC6CREBBPMAPT
SCHEMBL1504699 0.78 HDAC1 (0.46) HDAC1HDAC8HDAC6CREBBPTP53
SCHEMBL1504763 0.77 CYP11B1 (0.52) TP53MAPTALDH1A1KDM4EKMT2A
SCHEMBL1504670 0.76 MAPK14 (0.47) HDAC1HDAC8HDAC6
SCHEMBL1504668 0.76 HDAC1 (0.42) HDAC1HDAC8HDAC6TP53MAPT

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 HDAC1 777/4885HDAC8 1531/4885HDAC6 2198/4885

“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.