SCHEMBL13097907

SCHEMBL13097907

CCCCCOC(=O)NCc1[nH]c2ccccc2c(=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.52
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ GAA P10253 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL13097504 0.83 CYP2D6 (0.51) CYP2D6KDM4EALDH1A1TSHRLMNA
SCHEMBL13097498 0.82 CYP2D6 (0.54) CYP2D6KDM4EALDH1A1TSHRLMNA
SCHEMBL3099581 0.82 CYP2D6 (0.54) CYP2D6KDM4EALDH1A1TSHRLMNA
SCHEMBL3092059 0.82 CYP2D6 (0.57) CYP2D6KDM4EALDH1A1TSHRHSD17B10
SCHEMBL3096262 0.79 CAPN1 (0.48) CYP2D6KDM4EALDH1A1TSHRLMNA
SCHEMBL13097485 0.76 CYP2D6 (0.61) CYP2D6KDM4EALDH1A1TSHRLMNA
SCHEMBL13097496 0.76 CYP2D6 (0.64) CYP2D6KDM4EALDH1A1TSHRLMNA
SCHEMBL13097939 0.76 CYP2D6 (0.60) CYP2D6
SCHEMBL8537338 0.75 CYP2D6 (0.66) CYP2D6KDM4EALDH1A1TSHRLMNA
SCHEMBL17400300 0.74 CYP2D6 (0.68) CYP2D6KDM4EALDH1A1TSHRLMNA

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 6 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
CN-101801933-A quinolone derivative ASTELLAS PHARMA INC 2010-08-11 — — CN 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 230/4885KDM4E 1769/4885ALDH1A1 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.

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