SCHEMBL4388977

SCHEMBL4388977

CC(C)(C)OC(=O)N1CCC(N2CCN(CCCO[Si](C)(C)C(C)(C)C)C2=C(C#N)C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR119 Q8TDV5 9/20 0.35
FAAH O00519 1/20 0.35
HPGD P15428 1/20 0.34
FPR2 P25090 1/20 0.34
GLS O94925 1/20 0.34
NSD2 O96028 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34

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
SCHEMBL4382296 0.82 HRH3 (0.53) TP53MEN1ALDH1A1MAPTKMT2A
SCHEMBL4388053 0.81 TP53 (0.46) TP53GPR119
SCHEMBL4387707 0.78 TP53 (0.43) TP53RECQLMEN1ALDH1A1MAPT
SCHEMBL5506815 0.75 RECQL (0.40) RECQLGPR119FAAHHPGDGLS
SCHEMBL4384582 0.72 GPR119 (0.42) MEN1ALDH1A1MAPTKMT2AGPR119
SCHEMBL4024207 0.72 PARP1 (0.46) RECQLALDH1A1MAPT
SCHEMBL4395383 0.72 GPR119 (0.44) GPR119FPR2
SCHEMBL4214378 0.70 GPR119 (0.47) RECQLGPR119FAAHHPGDGLS
SCHEMBL4386527 0.70 KDM4E (0.45) RECQLMEN1ALDH1A1MAPTKMT2A
SCHEMBL4224647 0.69 RECQL (0.45) RECQLGPR119FAAHHPGDGLS

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 TP53 2329/4885RECQL 41/4885MEN1 3396/4885

“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.