SCHEMBL21640504

SCHEMBL21640504

COCCCNc1nsc(NCc2ccc(OC)cc2OC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.46
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
BCDIN3D Q7Z5W3 1/20 0.43
TSHR P16473 8/20 0.41
CYP1A2 P05177 8/20 0.41
CYP3A4 P08684 8/20 0.41
CYP2D6 P10635 8/20 0.41
CYP2C19 P33261 8/20 0.41
LMNA P02545 5/20 0.41
USP2 O75604 5/20 0.41
CLK4 Q9HAZ1 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DHFR P00374 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ERBB2 P04626 1/20 0.40

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
SCHEMBL30585654 1.00 APLNR (0.46) APLNRNPC1PKMRAB9ABCDIN3D
SCHEMBL14921907 0.80 APLNR (0.54) APLNRNPC1PKMRAB9ATSHR
SCHEMBL17048617 0.79 APLNR (0.50) APLNRNPC1PKMRAB9ATSHR
SCHEMBL21640422 0.79 APLNR (0.52) APLNRNPC1PKMRAB9ATSHR
SCHEMBL30585984 0.79 APLNR (0.52) APLNRNPC1PKMRAB9ATSHR
SCHEMBL352828 0.77 APLNR (0.50) APLNRNPC1PKMRAB9ATSHR
SCHEMBL4959821 0.77 APLNR (0.42) APLNRNPC1PKMRAB9ATSHR
SCHEMBL17048535 0.73 NPC1 (0.48) APLNRNPC1PKMRAB9ATSHR
SCHEMBL25386029 0.72 APLNR (0.69) APLNRTSHRCYP3A4CYP2D6TP53
SCHEMBL29736330 0.71 APLNR (0.55) APLNRNPC1PKMRAB9ATSHR

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
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 EP disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 US disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 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 (2 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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 APLNR 2172/4885NPC1 4631/4885PKM 3667/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 APLNR 1542/4885NPC1 4687/4885PKM 3054/4885

“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.