SCHEMBL13097529

SCHEMBL13097529

CCCCCc1ccc(NC(=O)OCc2[nH]c3ccccc3c(=O)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.49
▸ CTSV O60911 2/20 0.43
▸ CTSL P07711 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ CFTR P13569 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ OXER1 Q8TDS5 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL13097530 0.99 CYP2D6 (0.48) CYP2D6CTSVCTSLKDM4EALDH1A1
SCHEMBL13097921 0.87 CYP2D6 (0.63) CYP2D6MEN1KMT2A
SCHEMBL13097939 0.87 CYP2D6 (0.60) CYP2D6
SCHEMBL13097532 0.82 CFTR (0.50) CYP2D6KDM4EHPGDCFTRNPC1
SCHEMBL13097870 0.82 CYP2D6 (0.43) CYP2D6KDM4EHPGDNPC1RAB9A
SCHEMBL13097936 0.82 CFTR (0.50) CYP2D6KDM4EALDH1A1HPGDCFTR
SCHEMBL13097876 0.82 HPGD (0.56) CYP2D6KDM4EALDH1A1HPGDTHRB
SCHEMBL13097498 0.81 CYP2D6 (0.54) CYP2D6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13097920 0.81 CYP2D6 (0.46) CYP2D6CFTRRAB9ASMN1; SMN2MEN1
SCHEMBL13097929 0.80 CAPN1 (0.46) CYP2D6KDM4EALDH1A1HPGDTSHR

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 5 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
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 230/4885CTSV 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.

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