SCHEMBL9974682

SCHEMBL9974682

COC(=O)c1ccc(Cn2ccc3cc(Br)ccc3c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.53
MAPK10 P53779 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.50
USP2 O75604 1/20 0.46
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MMP13 P45452 1/20 0.43
GAA P10253 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
SCHEMBL6178153 0.91 MAPK8 (0.53) MAPK8MAPK10ALDH1A1LMNAUSP2
SCHEMBL2422376 0.85 ALDH1A1 (0.46) MAPK8MAPK10ALDH1A1HDAC8HDAC6
SCHEMBL12284336 0.84 MAPK8 (0.43) MAPK8MAPK10ALDH1A1LMNAUSP2
SCHEMBL1571627 0.83 MAPT (0.52) MAPK8LMNAHDAC8HDAC6HDAC11
SCHEMBL5697085 0.79 PSMB1 (0.46) MAPK8MAPK10ALDH1A1LMNAHDAC8
SCHEMBL6179524 0.79 MAPK8 (0.56) MAPK8MAPK10HDAC8HDAC6HDAC11
SCHEMBL2120980 0.79 MAPK14 (0.48) ALDH1A1GAA
SCHEMBL12284876 0.78 MAPK8 (0.54) MAPK8MAPK10ALDH1A1LMNAUSP2
SCHEMBL2419436 0.77 MAPK8 (0.45) MAPK8MAPK10
SCHEMBL14120698 0.77 HDAC6 (0.65) MAPK10ALDH1A1HDAC8HDAC6HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144881-B1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008122765-A1 NEW COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2008-10-16 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-20090023746-A1 COMPOUNDS AND THEIR USES 707 CYP3A7, UGT1A7, UGT2B7 MAPK8 2439/4885MAPK10 3748/4885ALDH1A1 272/4885

“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.