SCHEMBL16922682

SCHEMBL16922682

CC(=O)NC(C)(C)c1ccc(Oc2c(C(=O)OCc3ccccc3)c3cc(Br)ccc3n2COCC[Si](C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
DGAT1 O75907 3/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PLA2G2A P14555 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TP53 P04637 1/20 0.32
ELANE P08246 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
SCHEMBL16920147 0.87 PPARG (0.39) PPARGDGAT1NPC1PLA2G2AHTT
SCHEMBL16922680 0.83 FLT3 (0.34) DGAT1HTTMAPTGAAKDM4E
SCHEMBL16920140 0.78 NPC1 (0.43) DGAT1NPC1SMN1; SMN2PLA2G2AHTT
SCHEMBL16920142 0.70 DGAT1 (0.46) DGAT1NPC1MAPTLMNA
SCHEMBL16922678 0.67 ATM (0.43) NPC1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL30363805 0.66 PPARG (0.40) PPARGDGAT1NPC1SMN1; SMN2HTT
SCHEMBL30363639 0.64 AAK1 (0.42) PPARGDGAT1SMN1; SMN2HTTMAPT
SCHEMBL6182357 0.62 AAK1 (0.50) NPC1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL17963471 0.62 DGAT1 (0.44) DGAT1NPC1SMN1; SMN2HTTMEN1
SCHEMBL14709937 0.61 NPC1 (0.48) NPC1SMN1; SMN2HTTMEN1KMT2A

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
EP-2963013-A1 INDOLE AND AZAINDOLE DERIVATIVES EACH HAVING AMPK-ACTIVATING ACTIVITY Shionogi & Co., Ltd. (JP) 2016-01-06 EP disclosed
US-20150203450-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-07-23 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-20150203450-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAB1 PPARG 204/4885DGAT1 2045/4885NPC1 2996/4885

“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.