SCHEMBL3099581

SCHEMBL3099581

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.54
▸ USP2 O75604 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ PABPC1 P11940 1/20 0.48
▸ TSHR P16473 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EPHX1 P07099 3/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL3092059 0.84 CYP2D6 (0.57) CYP2D6USP2ALDH1A1KDM4EHSD17B10
SCHEMBL13097485 0.83 CYP2D6 (0.61) CYP2D6USP2ALDH1A1KDM4EHSD17B10
SCHEMBL13097907 0.82 CYP2D6 (0.52) CYP2D6USP2ALDH1A1KDM4EHSD17B10
SCHEMBL13097498 0.82 CYP2D6 (0.54) CYP2D6USP2ALDH1A1KDM4EHSD17B10
SCHEMBL3096262 0.81 CAPN1 (0.48) CYP2D6ALDH1A1KDM4EHPGDTSHR
SCHEMBL5276134 0.79 USP2 (0.61) CYP2D6USP2ALDH1A1KDM4EHSD17B10
SCHEMBL8537338 0.77 CYP2D6 (0.66) CYP2D6ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL17400300 0.76 CYP2D6 (0.68) CYP2D6ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12891618 0.76 CYP2D6 (0.68) CYP2D6ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL27902363 0.76 CYP2D6 (0.68) CYP2D6ALDH1A1KDM4EHSD17B10HPGD

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 8 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-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 230/4885USP2 2617/4885ALDH1A1 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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