SCHEMBL21640472

SCHEMBL21640472

O=C(ON1CC(F)(C(=O)NCC2CCCCO2)C1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL21640471 0.77 HPGD (0.41) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL21640710 0.75 MEN1 (0.40) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL21640516 0.72 NPC1 (0.37) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL21640869 0.72 NPC1 (0.37) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL21641248 0.72 NPC1 (0.37) HPGDMEN1KMT2AHTTSMN1; SMN2
SCHEMBL21750359 0.72 LMNA (0.37) SMN1; SMN2LMNAPOLBTSHRALDH1A1
SCHEMBL21640648 0.72 LMNA (0.37) SMN1; SMN2LMNAPOLBTSHRALDH1A1
SCHEMBL21640590 0.72 LMNA (0.37) SMN1; SMN2LMNAPOLBTSHRALDH1A1
SCHEMBL21640213 0.72 LMNA (0.37) SMN1; SMN2LMNAPOLBTSHRALDH1A1
Trifluoroacetic Acid SCHEMBL21640709 0.71 HPGD (0.42) HPGDMEN1KMT2AHTTSMN1; SMN2

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 HPGD 2883/4885MEN1 2748/4885KMT2A 2507/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 HPGD 2366/4885MEN1 2481/4885KMT2A 2313/4885

“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.