SCHEMBL3930000

SCHEMBL3930000

CC(C)[Si](Oc1cc(C(=O)c2cccnc2)cc(-c2cccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TEK Q02763 2/20 0.33
HTT P42858 2/20 0.33
GRM1 Q13255 1/20 0.33
BRPF1 P55201 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KCNA5 P22460 1/20 0.32

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
SCHEMBL3931122 0.83 KMT2A (0.43) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL3931771 0.82 HTT (0.38) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL3931607 0.82 HTT (0.39) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL3928721 0.81 MAPK10 (0.42) ALDH1A1SMN1; SMN2HTTCYP1A2CYP2C9
SCHEMBL3938426 0.80 TSHR (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1HTT
SCHEMBL3937139 0.77 BTK (0.40) KMT2AMEN1TDP1LMNAALDH1A1
SCHEMBL4162496 0.73 CCNA2 (0.31) ALDH1A1SMN1; SMN2RAB9ANPC1HTT
SCHEMBL3933515 0.72 LRRK2 (0.43) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL3925114 0.72 KDM4E (0.40) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL3926276 0.72 VNN1 (0.37) KMT2AMEN1LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 KMT2A 2531/4885MEN1 2463/4885TDP1 4298/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 KMT2A 2491/4885MEN1 2359/4885TDP1 4312/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 KMT2A 3984/4885MEN1 1354/4885TDP1 2851/4885

“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.