Sugi Predict

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SCHEMBL3099144

SCHEMBL3099144

Cc1c(COc2cc(OCCCC(C)(C)O)ccn2)[nH]c2ccccc2c1=O

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 9/20 0.91
▸ MCL1 Q07820 4/20 0.35
▸ CTSV O60911 2/20 0.35
▸ CTSL P07711 2/20 0.35
▸ IMPDH2 P12268 2/20 0.35
▸ GABRP O00591 3/20 0.34
▸ GABRD O14764 3/20 0.34
▸ GABRA1 P14867 3/20 0.34
▸ GABRB1 P18505 3/20 0.34
▸ GABRG2 P18507 3/20 0.34
▸ GABRB3 P28472 3/20 0.34
▸ GABRA5 P31644 3/20 0.34
▸ GABRA3 P34903 3/20 0.34
▸ GABRA2 P47869 3/20 0.34
▸ GABRB2 P47870 3/20 0.34
▸ GABRA4 P48169 3/20 0.34
▸ GABRE P78334 3/20 0.34
▸ GABRA6 Q16445 3/20 0.34
▸ GABRG1 Q8N1C3 3/20 0.34
▸ GABRG3 Q99928 3/20 0.34

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
SCHEMBL3108568 0.95 CYP2D6 (1.00) CYP2D6MCL1CTSVCTSLIMPDH2
SCHEMBL13097689 0.89 CYP2D6 (0.82) CYP2D6CTSVCTSLIMPDH2GABRP
SCHEMBL13097656 0.87 CYP2D6 (0.79) CYP2D6MCL1CTSVCTSL
SCHEMBL3103496 0.87 CYP2D6 (0.81) CYP2D6MCL1CTSVCTSLIMPDH2
SCHEMBL13097682 0.86 CYP2D6 (0.74) CYP2D6CTSVCTSLALDH1A1LMNA
SCHEMBL3096296 0.82 CYP2D6 (0.79) CYP2D6MCL1CTSVCTSL
SCHEMBL13097673 0.81 CYP2D6 (0.75) CYP2D6MCL1IMPDH2ALDH1A1MAPT
SCHEMBL13097671 0.81 CYP2D6 (0.66) CYP2D6MCL1CTSVCTSLGABRP
SCHEMBL3092104 0.80 CYP2D6 (0.68) CYP2D6MCL1CTSVCTSLGABRA5
SCHEMBL13097702 0.80 CYP2D6 (0.73) CYP2D6CTSVCTSLGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US claimed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 — — US claimed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 — — EP claimed
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-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
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
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 CYP2D6 230/4885MCL1 3783/4885CTSV 1341/4885

“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.