SCHEMBL2990695

SCHEMBL2990695

C[Si](C)(C)CCOCn1c(C(=O)Cc2ccccc2)nc(Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.39
NPC1 O15118 2/20 0.39
DGAT1 O75907 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
KLKB1 P03952 1/20 0.33
GRM1 Q13255 1/20 0.32
SRD5A2 P31213 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
STS P08842 1/20 0.31

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
SCHEMBL5974075 0.82 POLB (0.47) F11NPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1314051 0.81 NPC1 (0.35) F11NPC1DGAT1KLKB1MAPT
SCHEMBL2984212 0.76 F11 (0.44) F11NPC1DGAT1
SCHEMBL3637434 0.76 NPC1 (0.33) NPC1DGAT1MAPT
SCHEMBL1313801 0.75 ALDH1A1 (0.44) NPC1SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL5973964 0.74 DGAT1 (0.40) F11NPC1DGAT1SMN1; SMN2ALDH1A1
SCHEMBL67447 0.74 DGAT1 (0.40) F11NPC1DGAT1SMN1; SMN2MAPT
SCHEMBL1316068 0.71 NPC1 (0.35) F11NPC1DGAT1KLKB1MAPT
SCHEMBL13733548 0.70 F11 (0.39) F11NPC1DGAT1KLKB1MAPT
SCHEMBL67719 0.70 DGAT1 (0.35) NPC1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2010-07-08 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-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) PARP1, PARP2, PARP15 F11 968/4885NPC1 4403/4885DGAT1 3702/4885

“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.