SCHEMBL22057712

SCHEMBL22057712

c1ccc2sc(-c3ccc4c(c3)CCNC4)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 7/20 0.49
APP P05067 2/20 0.48
CD274 Q9NZQ7 3/20 0.46
PNMT P11086 1/20 0.45
CD44 P16070 1/20 0.45
MAOB P27338 1/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
ERN1 O75460 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL6347388 0.74 ASIC3 (0.65) ASIC3CD274PNMTCD44MAOB
SCHEMBL25404881 0.74 ASIC3 (0.54) ASIC3CD274PNMTCD44MAOB
SCHEMBL13757752 0.73 HTR6 (0.53) PNMTCA2DRD2DRD3
SCHEMBL32677328 0.73 APP (0.81) ASIC3APPHSD17B1HSD17B2ERN1
SCHEMBL27159530 0.73 APP (0.81) ASIC3APPHSD17B1HSD17B2ERN1
Hydrochloric Acid SCHEMBL9957809 0.72 HTR6 (0.52) PNMTCA2DRD2DRD3
SCHEMBL25402840 0.71 CD274 (0.61) ASIC3CD274PNMTCD44MAOB
SCHEMBL13291990 0.71 APP (0.54) APPCD274HSD17B1HSD17B2ERN1
SCHEMBL25407596 0.71 ASIC3 (0.54) ASIC3CD274PNMTCD44MAOB
SCHEMBL28813263 0.71 APP (0.67) ASIC3APPHSD17B1HSD17B2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-12-20 US disclosed
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-04 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 (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-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND ATG7, BECN1, SQSTM1 ASIC3 3380/4885APP 2479/4885CD274 4255/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 ASIC3 3380/4885APP 2479/4885CD274 4255/4885

“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.