SCHEMBL26152004

SCHEMBL26152004

C=C(C)COc1cncc(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
GRM5 P41594 1/20 0.48
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
SIRT1 Q96EB6 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
GPR174 Q9BXC1 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL26154762 0.86 ATM (0.49) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL23167202 0.80 ATM (0.56) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL642445 0.79 NPC1 (0.48) ATMALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28060971 0.79 ATM (0.54) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL31525852 0.78 NPSR1 (0.46) GRM5CYP11B1CYP11B2ALDH1A1NPC1
SCHEMBL12524683 0.78 ATM (0.53) ATMGRM5CYP11B1CYP11B2NPC1
SCHEMBL16319115 0.78 ATM (0.53) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL643593 0.78 CA12 (0.56) ATMNPC1RAB9ASMN1; SMN2POLB
SCHEMBL4234393 0.78 SMN1; SMN2 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL31287098 0.78 ATM (0.53) ATMGRM5CYP11B1CYP11B2SIRT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251389-A Pyridyl derivatives as sodium channel activators 泽农医药公司 2024-06-25 CN disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US 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 (1 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-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ATM 4493/4885GRM5 636/4885CYP11B1 695/4885

“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.