SCHEMBL21852510

SCHEMBL21852510

CC(S)CC(=O)N1CCN(C/C=C/c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ MAPK1 P28482 2/20 0.58
▸ ALDH1A1 P00352 6/20 0.57
▸ MAPT P10636 2/20 0.57
▸ TSHR P16473 2/20 0.56
▸ HTT P42858 1/20 0.55
▸ GAA P10253 2/20 0.54
▸ CHRM3 P20309 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ THRB P10828 1/20 0.53

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
SCHEMBL21851960 0.90 LMNA (0.68) LMNAMEN1KMT2AUSP2MAPK1
SCHEMBL11002645 0.81 LMNA (0.70) LMNAMEN1KMT2AUSP2MAPK1
SCHEMBL11002647 0.81 LMNA (0.70) LMNAMEN1KMT2AUSP2MAPK1
SCHEMBL10958217 0.80 LMNA (0.73) LMNAMEN1KMT2AUSP2MAPK1
SCHEMBL10958215 0.80 LMNA (0.73) LMNAMEN1KMT2AUSP2MAPK1
SCHEMBL7365408 0.80 LMNA (0.68) LMNAMEN1KMT2AUSP2MAPK1
SCHEMBL7365405 0.80 LMNA (0.68) LMNAMEN1KMT2AUSP2MAPK1
SCHEMBL5487379 0.80 LMNA (0.72) LMNAMEN1KMT2AUSP2ALDH1A1
SCHEMBL5487375 0.80 LMNA (0.72) LMNAMEN1KMT2AUSP2ALDH1A1
Hydrochloric Acid SCHEMBL3498897 0.80 LMNA (0.68) LMNAMEN1KMT2AUSP2MAPK1

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 LMNA 3153/4885MEN1 4275/4885KMT2A 3189/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 LMNA 3153/4885MEN1 4275/4885KMT2A 3189/4885

“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.

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