SCHEMBL13097945

SCHEMBL13097945

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CYP2D6 P10635 4/20 0.47
▸ STING1 Q86WV6 1/20 0.47
▸ GOT1 P17174 1/20 0.45
▸ SERPINE1 P05121 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MGAM O43451 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 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
SCHEMBL13097920 0.88 CYP2D6 (0.46) KMT2AMAPTCYP2D6STING1GOT1
SCHEMBL13097876 0.87 HPGD (0.56) KMT2AMAPTCYP2D6LMNAHPGD
SCHEMBL13097883 0.85 CYP2D6 (0.44) KMT2AMAPTTDP1CYP2D6SMN1; SMN2
SCHEMBL13097936 0.85 CFTR (0.50) KMT2ACYP2D6HPGDSMN1; SMN2
SCHEMBL13097921 0.84 CYP2D6 (0.63) KMT2ACYP2D6
SCHEMBL13097870 0.82 CYP2D6 (0.43) KMT2AMAPTCYP2D6MAOBLMNA
SCHEMBL13097532 0.82 CFTR (0.50) KMT2AMAPTCYP2D6STING1HPGD
SCHEMBL13097939 0.82 CYP2D6 (0.60) CYP2D6
SCHEMBL13097946 0.81 MAPT (0.54) KMT2AMAPTCYP2D6GOT1LMNA
SCHEMBL13097529 0.79 CYP2D6 (0.49) KMT2ACYP2D6HPGDSMN1; SMN2

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 4 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

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 KMT2A 1299/4885MAPT 4661/4885TDP1 3099/4885

“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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