SCHEMBL3098321

SCHEMBL3098321

Cc1c(COc2cccc(N3CCC(C)(O)CC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.58
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
KIF11 P52732 7/20 0.40
PRMT5 O14744 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL13097624 0.87 CYP2D6 (0.64) CYP2D6MAPTALDH1A1LMNAKMT2A
SCHEMBL3094907 0.85 CYP2D6 (0.60) CYP2D6MAPTALDH1A1LMNAKMT2A
SCHEMBL13097626 0.85 CYP2D6 (0.68) CYP2D6MAPTALDH1A1LMNAKMT2A
SCHEMBL13097619 0.84 CYP2D6 (0.55) CYP2D6MAPTALDH1A1LMNAKMT2A
SCHEMBL13097690 0.83 CYP2D6 (0.59) CYP2D6MAPTALDH1A1LMNAKMT2A
SCHEMBL13097623 0.80 CYP2D6 (0.57) CYP2D6MAPTALDH1A1LMNAKMT2A
SCHEMBL13097970 0.79 CYP2D6 (0.70) CYP2D6MAPTALDH1A1LMNAKMT2A
SCHEMBL13097708 0.79 CYP2D6 (0.58) CYP2D6MAPTALDH1A1LMNAKMT2A
SCHEMBL13097841 0.79 CYP2D6 (0.57) CYP2D6MAPTLMNACTSVCTSL
SCHEMBL13097784 0.78 CYP2D6 (0.60) CYP2D6ALDH1A1LMNAKMT2ACTSV

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 230/4885MAPT 4661/4885ALDH1A1 524/4885

“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.