SCHEMBL13097578

SCHEMBL13097578

Cc1c(COc2cccc(OCC3CCS(=O)(=O)CC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.77
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 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
SCHEMBL13097607 0.88 CYP2D6 (0.80) CYP2D6CTSVCTSLNOS3NOS1
SCHEMBL13097629 0.88 CYP2D6 (0.80) CYP2D6CTSVCTSLNOS3NOS1
SCHEMBL3101982 0.87 CYP2D6 (1.00) CYP2D6CTSVCTSLNOS3NOS1
SCHEMBL13097575 0.83 CYP2D6 (0.72) CYP2D6CTSVCTSLMGLLMAOA
SCHEMBL3095845 0.83 CYP2D6 (0.72) CYP2D6MGLLMEN1KMT2A
SCHEMBL13097559 0.80 CYP2D6 (0.87) CYP2D6CTSVCTSLNOS3NOS1
SCHEMBL13097912 0.80 CYP2D6 (0.68) CYP2D6MGLL
SCHEMBL13097590 0.80 CYP2D6 (0.86) CYP2D6CTSVCTSLMAOAMAOB
SCHEMBL13097573 0.80 CYP2D6 (0.82) CYP2D6NOS3NOS1NOS2ALDH1A1
SCHEMBL13097564 0.80 CYP2D6 (0.85) CYP2D6CTSVCTSL

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 CYP2D6 230/4885CTSV 1341/4885CTSL 1938/4885

“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.