SCHEMBL20848463

SCHEMBL20848463

CC(C)(C)NC(=O)c1cccc(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.47
MMP9 P14780 12/20 0.47
MMP12 P39900 11/20 0.47
MMP2 P08253 8/20 0.47
FLT3 P36888 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
IMPDH2 P12268 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL24112333 0.79 MMP1 (0.51) MMP1MMP9MMP12MMP2FLT3
SCHEMBL26338698 0.76 MMP1 (0.47) MMP1MMP9MMP12MMP2
SCHEMBL2897889 0.76 MMP1 (0.47) MMP1MMP9MMP12MMP2KDM4E
SCHEMBL24019669 0.75 MMP1 (0.49) MMP1MMP9MMP12MMP2KDM4E
SCHEMBL9354140 0.75 MMP1 (0.60) MMP1MMP9MMP12MMP2MEN1
SCHEMBL161785 0.74 KDM4E (0.49) KDM4EPOLB
SCHEMBL18407327 0.73 ALPL (0.38) MEN1KMT2AMAPTIMPDH2KDM4E
SCHEMBL21977217 0.73 IMPDH2 (0.39) MAPTIMPDH2KDM4EALDH1A1GLA
SCHEMBL20206904 0.72 MMP1 (0.56) MMP1MMP9MMP12MMP2
SCHEMBL1161224 0.72 MMP1 (0.66) MMP1MMP9MMP12MMP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107917-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. 2021-04-15 US disclosed
US-10752639-B2 Bridged bicyclic inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2020-08-25 US disclosed
US-20190092783-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. (US) 2019-03-28 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 (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-10752639-B2 Bridged bicyclic inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 MMP1 4347/4885MMP9 4392/4885MMP12 2408/4885
US-20210107917-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, BMI1 MMP1 4450/4885MMP9 4395/4885MMP12 2594/4885
US-20190092783-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, BMI1 MMP1 4450/4885MMP9 4395/4885MMP12 2594/4885

“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.