SCHEMBL21640869

SCHEMBL21640869

O=C(ON1CC(NOCC2CCCCO2)C1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MGLL Q99685 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21641248 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL21640516 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL21640590 0.80 LMNA (0.37) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL21641189 0.77 EPHX1 (0.41) NPC1RAB9ASMN1; SMN2LMNAPOLB
Trifluoroacetic Acid SCHEMBL21640515 0.75 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2LMNAPOLB
Trifluoroacetic Acid SCHEMBL21641246 0.75 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL21750359 0.75 LMNA (0.37) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL21640213 0.75 LMNA (0.37) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL21640648 0.75 LMNA (0.37) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL21639847 0.74

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 NPC1 4631/4885RAB9A 103/4885SMN1; SMN2 3320/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 NPC1 4687/4885RAB9A 88/4885SMN1; SMN2 3701/4885

“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.