SCHEMBL21851964

SCHEMBL21851964

COc1ccc(NC(=O)CCC(C)C)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CYP1A2 P05177 3/20 0.59
CYP2C19 P33261 3/20 0.59
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL11636916 0.85 SMN1; SMN2 (0.65) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2
SCHEMBL21852785 0.83 NPC1 (0.64) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2
SCHEMBL7959722 0.82 NPC1 (0.63) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2
SCHEMBL7327512 0.82 NPC1 (0.63) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2
SCHEMBL3970414 0.80 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2
SCHEMBL18760165 0.79 NPC1 (0.67) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2
SCHEMBL12659371 0.79 NPC1 (0.67) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2
SCHEMBL7959692 0.79 NPC1 (0.67) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2
SCHEMBL9079459 0.79 NPC1 (0.67) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2
SCHEMBL27892111 0.79 NPC1 (0.71) SMN1; SMN2NPSR1NPC1RAB9ACYP1A2

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 AAK1 2662/4885SMN1; SMN2 3405/4885NPSR1 4610/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 AAK1 2662/4885SMN1; SMN2 3405/4885NPSR1 4610/4885

“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.