SCHEMBL21640458

SCHEMBL21640458

O=C1c2ccccc2C(=O)N1CC1CCCCO1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.91
CYP2C9 P11712 1/20 0.91
CYP2C19 P33261 1/20 0.91
ALDH1A1 P00352 13/20 0.70
KDM4E B2RXH2 6/20 0.70
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
HSD17B10 Q99714 1/20 0.64
NPC1 O15118 3/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
S1PR4 O95977 1/20 0.56
MAPT P10636 1/20 0.56
S1PR1 P21453 1/20 0.56
RAB9A P51151 2/20 0.55
TSHR P16473 2/20 0.54
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.50

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
SCHEMBL3660587 0.95 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL25690608 0.90 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL31258922 0.90 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL499818 0.90 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL28562135 0.90 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL17196907 0.83 CYP1A2 (0.77) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL4256711 0.82 ALDH1A1 (1.00) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL5052647 0.80 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL78821 0.80 CYP2C9 (0.68) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL29567211 0.80 CYP2C9 (0.68) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E

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 4 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
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 CYP1A2 1065/4885CYP2C9 1993/4885CYP2C19 2866/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 CYP1A2 568/4885CYP2C9 1391/4885CYP2C19 2194/4885

“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.