SCHEMBL22652248

SCHEMBL22652248

COC(=O)c1ccc(CN(C)C)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
PARP1 P09874 1/20 0.43
TP53 P04637 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.38

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
SCHEMBL22652350 0.85 NPSR1 (0.45) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL17586412 0.84 DAO (0.48) LMNAMRGPRX4HPGDTP53HDAC3
SCHEMBL3347828 0.81 HPGD (0.47) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL17065261 0.80 ALDH1A1 (0.50) NPSR1LMNAHPGDL3MBTL1MAPK1
SCHEMBL1401544 0.80 LMNA (0.53) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL11984343 0.80 HPGD (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL2847199 0.79 HPGD (0.46) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL24667217 0.79 HPGD (0.46) LMNAHPGDMAPK1TSHRPARP1
SCHEMBL7612745 0.79 LMNA (0.49) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1977403 0.79 NPSR1 (0.51) NPSR1LMNAPPARGNCOA2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-20230002403-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-01-05 US disclosed
US-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-09-08 US disclosed
WO-2021231474-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-11-18 WO disclosed
WO-2020227097-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO 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 (3 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-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 NPSR1 2433/4885LMNA 1423/4885PPARG 4045/4885
US-20230002403-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS NPSR1 4742/4885LMNA 2728/4885PPARG 1421/4885
US-11807644-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS NPSR1 4742/4885LMNA 2728/4885PPARG 1421/4885

“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.