SCHEMBL21640422

SCHEMBL21640422

COc1ccc(CNc2nc(Cl)ns2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.52
TSHR P16473 12/20 0.48
CYP1A2 P05177 11/20 0.48
CYP3A4 P08684 11/20 0.48
CYP2D6 P10635 11/20 0.48
CYP2C19 P33261 11/20 0.48
CLK4 Q9HAZ1 6/20 0.48
LMNA P02545 5/20 0.48
ALDH1A1 P00352 4/20 0.48
GLA P06280 2/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 3/20 0.47
CYP2C9 P11712 3/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL30585984 1.00 APLNR (0.52) APLNRTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL14921907 0.86 APLNR (0.54) APLNRTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL352828 0.85 APLNR (0.50) APLNRTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL17048617 0.82 APLNR (0.50) APLNRTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL18062214 0.80 APLNR (0.59) APLNRTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL3160157 0.80 APLNR (0.52) APLNRTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL17048535 0.79 NPC1 (0.48) APLNRTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL30585654 0.79 APLNR (0.46) APLNRTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL21640504 0.79 APLNR (0.46) APLNRTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL1094314 0.78 APLNR (0.54) APLNRTSHRCYP1A2CYP3A4CYP2D6

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 2172/4885TSHR 1378/4885CYP1A2 1065/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 APLNR 1542/4885TSHR 1343/4885CYP1A2 568/4885

“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.