SCHEMBL16920140

SCHEMBL16920140

C[Si](C)(C)CCOCn1c(Cl)c(C(=O)OCc2ccccc2)c2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
DGAT1 O75907 2/20 0.40
PLA2G2A P14555 1/20 0.40
ALDH1A1 P00352 2/20 0.39
F11 P03951 1/20 0.38
HTT P42858 1/20 0.38
ELANE P08246 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
TSPO P30536 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL16922678 0.86 ATM (0.43) NPC1MAPTLMNAALDH1A1HTT
SCHEMBL16920142 0.80 DGAT1 (0.46) NPC1MAPTLMNADGAT1ALDH1A1
SCHEMBL16922682 0.78 PPARG (0.38) NPC1MAPTGAAPKMKDM4E
SCHEMBL30363805 0.73 PPARG (0.40) NPC1MAPTGAAKDM4ELMNA
SCHEMBL16920118 0.72 NPC1 (0.39) NPC1MAPTLMNADGAT1ALDH1A1
SCHEMBL14709937 0.72 NPC1 (0.48) NPC1MAPTGAAKDM4ELMNA
SCHEMBL30363639 0.72 AAK1 (0.42) MAPTGAAKDM4ELMNADGAT1
SCHEMBL17963471 0.70 DGAT1 (0.44) NPC1MAPTGAAPKMKDM4E
SCHEMBL16661173 0.69 DGAT1 (0.69) NPC1DGAT1ALDH1A1SMN1; SMN2
SCHEMBL16792683 0.69 NOD2 (0.42) NPC1MAPTKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141906-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO. , LTD. (JP) 2018-05-24 US disclosed
US-9890119-B2 Indole and azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-02-13 US disclosed
US-20150203450-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150057221-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 2015-02-26 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-20150203450-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAB1 NPC1 2996/4885MAPT 4209/4885GAA 4207/4885
US-20150057221-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 NPC1 1209/4885MAPT 3941/4885GAA 1135/4885
US-20180141906-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG3 NPC1 3834/4885MAPT 4480/4885GAA 4270/4885

“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.