SCHEMBL17970913

SCHEMBL17970913

COc1cccc(CCn2cc(O)c(=O)c(C(C)=O)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.45
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ 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
SCHEMBL16578561 0.91 ALDH1A1 (0.49) SIGMAR1MTNR1AMTNR1BHRH3DAO
SCHEMBL17970934 0.86 GSK3A (0.44) SIGMAR1DAOL3MBTL1ALDH1A1GAA
SCHEMBL17970920 0.83 ADORA2A (0.44) DAOALDH1A1POLBALOX15
SCHEMBL17970910 0.83 SMN1; SMN2 (0.47) ALDH1A1GAAPOLB
SCHEMBL17970902 0.81 HTT (0.43) SIGMAR1DAOL3MBTL1POLB
SCHEMBL20751234 0.78 ALDH1A1 (0.47) SIGMAR1HRH3DAOHDAC3HDAC4
SCHEMBL17970921 0.77 MTNR1A (0.43) SIGMAR1MTNR1AMTNR1BHRH3DAO
SCHEMBL17970923 0.76 L3MBTL1 (0.53) L3MBTL1ALDH1A1PKMALOX15
SCHEMBL16578654 0.74 HSP90AA1 (0.47) ALDH1A1GAA
SCHEMBL17970907 0.73 PARP1 (0.42) HDAC1HDAC7L3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221963-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2016-08-04 — — 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-20160221963-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF PDXK, PNPO, PLPBP SIGMAR1 3789/4885MTNR1A 994/4885MTNR1B 666/4885

“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.

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