SCHEMBL2345828

SCHEMBL2345828

CC(C)(C)N(Cc1cccc2c(Br)csc12)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TBXAS1 P24557 1/20 0.34
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GPR35 Q9HC97 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EGFR P00533 3/20 0.31
ERBB2 P04626 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2348991 0.83 KMT2A (0.34) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL5514821 0.77 KMT2A (0.48) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL1364356 0.76 LMNA (0.42) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL1362694 0.75 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL1363068 0.73 KMT2A (0.42) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL17372745 0.70 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL3461483 0.69 AKR1B1 (0.48) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL12321917 0.69 HDAC10 (0.43) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL9775376 0.68 TBXAS1 (0.32) TBXAS1
SCHEMBL1799391 0.68 MEN1 (0.46) MEN1KMT2ALMNAALDH1A1HTT

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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 EP 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 (1 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 MEN1 2586/4885KMT2A 771/4885LMNA 4693/4885

“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.