SCHEMBL21852149

SCHEMBL21852149

O=CNCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.54
OGA O60502 1/20 0.53
HEXA P06865 1/20 0.53
HEXB P07686 1/20 0.53
GLS O94925 1/20 0.52
SIRT1 Q96EB6 1/20 0.49

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
SCHEMBL805142 0.84 OGA (0.70) ACHEOGAHEXAHEXBGLS
SCHEMBL7973833 0.82 OGA (0.68) ACHEOGAHEXAHEXBGLS
SCHEMBL21852741 0.80 NPSR1 (0.56) ACHEOGAHEXAHEXB
SCHEMBL9827604 0.79 ACHE (0.69) ACHESIRT1
SCHEMBL30185439 0.79 GLS (0.57) GLS
SCHEMBL1042197 0.79 GLS (0.57) GLS
SCHEMBL1210939 0.78 OGA (0.57) ACHEOGAHEXAHEXBGLS
SCHEMBL7476248 0.78 SIRT1 (0.66) ACHEOGAHEXAHEXBSIRT1
SCHEMBL11765817 0.77 OGA (0.53) ACHEOGAHEXAHEXBGLS
SCHEMBL6699936 0.77 GLS (0.71) GLS

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-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same CITY OF HOPE (US) 2022-05-10 US disclosed
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME CITY OF HOPE 2020-03-19 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-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same TXN, TXN2, TXNRD3 ACHE 4220/4885OGA 1132/4885HEXA 3091/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 ACHE 4220/4885OGA 1132/4885HEXA 3091/4885

“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.