SCHEMBL5733629

SCHEMBL5733629

CCOC(=O)c1cn(C2CC2)c2c(C)c(Br)ccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ KCNH2 Q12809 4/20 0.40
▸ HPGD P15428 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7507103 0.89 ADRB2 (0.55) ADRB2TDP1LMNAKCNH2KMT2A
SCHEMBL7504273 0.89 ADRB2 (0.47) ADRB2TDP1LMNAKCNH2HPGD
SCHEMBL7496082 0.88 KCNH2 (0.48) ADRB2TDP1LMNAKCNH2HPGD
SCHEMBL5733774 0.86 ADRB2 (0.48) ADRB2TDP1LMNAKCNH2HPGD
SCHEMBL9148042 0.86 ADRB2 (0.55) ADRB2TDP1KCNH2HPGDKMT2A
SCHEMBL7500713 0.86 ADRB2 (0.47) ADRB2TDP1LMNAKCNH2HPGD
SCHEMBL2081998 0.84 ADRB2 (0.45) ADRB2TDP1LMNAKCNH2HPGD
SCHEMBL7122628 0.83 KCNH2 (0.44) ADRB2TDP1LMNAKCNH2MEN1
SCHEMBL6783818 0.82 ADRB2 (0.59) ADRB2TDP1KCNH2HPGDKMT2A
SCHEMBL7011806 0.81 ADRB2 (0.59) ADRB2LMNAKCNH2HPGDKMT2A

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
EP-1070713-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2006-10-18 — — EP disclosed
EP-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 — — EP disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 — — US disclosed
US-6335447-B1 BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-01 — — US disclosed
EP-1070713-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-01-24 — — EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 — — US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 — — EP 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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 ADRB2 3198/4885TDP1 2273/4885LMNA 2164/4885

“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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