SCHEMBL10199640

SCHEMBL10199640

CC(C)(C)[Si](C)(C)OCNCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
MAOA P21397 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.39
CHRM2 P08172 1/20 0.39
GAA P10253 1/20 0.39
DRD4 P21917 1/20 0.39
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1775608 0.83 DRD4 (0.51) KMT2AMEN1TDP1MAOAMAPT
SCHEMBL17362515 0.81 SCN8A (0.52) KMT2AMEN1TDP1MAOACHRM2
SCHEMBL1315036 0.76 IDO1 (0.46) TDP1TP53MAPT
SCHEMBL6392396 0.75 CXCR4 (0.47) KMT2AMEN1TP53CYP3A4SIGMAR1
SCHEMBL2204713 0.75 MAPT (0.38) KMT2AMEN1MAOAMAPTCYP3A4
SCHEMBL2110580 0.74 SIGMAR1 (0.51) KMT2AMEN1ADH1BADH1CADH1A
SCHEMBL2109163 0.74 MCHR1 (0.44) KMT2AMEN1TDP1MAOATP53
SCHEMBL2112075 0.74 MCHR1 (0.44) KMT2AMEN1TDP1MAOATP53
SCHEMBL8826023 0.73 LTA4H (0.50) KMT2AGAADRD4BCHEKDM4E
SCHEMBL20915914 0.73 DRD2 (0.56) DRD4SIGMAR1

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-8158617-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-17 US disclosed
US-20090131402-A1 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-05-21 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 (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-20090131402-A1 Fused heterocyclic compound and use thereof HTR2C, HTR3C, HTR3B KMT2A 775/4885MEN1 647/4885TDP1 4298/4885

“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.