SCHEMBL13097532

SCHEMBL13097532

Cc1c(COC(=O)Nc2ccc(C(C)C)cc2)[nH]c2ccccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.50
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ STING1 Q86WV6 1/20 0.44
▸ CYP2D6 P10635 5/20 0.43
▸ ACHE P22303 2/20 0.40
▸ BCHE P06276 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.39

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
SCHEMBL13097876 0.85 HPGD (0.56) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13097936 0.85 CFTR (0.50) CFTRSMN1; SMN2HPGDL3MBTL1CYP2D6
SCHEMBL13097870 0.85 CYP2D6 (0.43) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13097920 0.84 CYP2D6 (0.46) CFTRTP53MAPTRAB9ASMN1; SMN2
SCHEMBL13097945 0.82 KMT2A (0.52) TP53MAPTSMN1; SMN2HPGDSTING1
SCHEMBL13097921 0.82 CYP2D6 (0.63) CYP2D6MEN1KMT2A
SCHEMBL13097883 0.82 CYP2D6 (0.44) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13097529 0.82 CYP2D6 (0.49) CFTRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13097530 0.81 CYP2D6 (0.48) CFTRSMN1; SMN2HPGDCYP2D6KDM4E
SCHEMBL13097939 0.80 CYP2D6 (0.60) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 — — US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 — — US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 — — 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK CFTR 2349/4885TP53 3864/4885MAPT 4661/4885

“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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