SCHEMBL16495403

SCHEMBL16495403

CC(C)c1ccc(N(C(=O)O)c2ccc3c(c2)C(C)(C)CN3Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.39
ACHE P22303 2/20 0.39
TP53 P04637 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
CNR2 P34972 1/20 0.37
PKM P14618 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FAAH O00519 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
MCL1 Q07820 1/20 0.34
MAOB P27338 1/20 0.34
CCR4 P51679 1/20 0.34
NPY5R Q15761 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
SCHEMBL16495217 0.91 HDAC1 (0.35) BCHEACHETP53SLC22A12PKM
SCHEMBL16495184 0.89 SLC22A12 (0.39) SLC22A12HDAC1HDAC6MAPT
SCHEMBL16495104 0.87 NPC1 (0.39) TP53SLC22A12
SCHEMBL16495396 0.86 ACHE (0.41) ACHETP53PTGDR2MAPT
SCHEMBL16494670 0.78 CACNA1G (0.45) BCHEACHESLC22A12PKMMAOB
SCHEMBL16495185 0.77 CYP3A4 (0.39)
SCHEMBL6424900 0.76 ACHE (0.66) BCHEACHE
SCHEMBL16494614 0.76 BCHE (0.63) BCHEACHE
SCHEMBL16495357 0.74 CACNA1G (0.38) BCHEPKMMAOB
SCHEMBL16495115 0.73 CACNA1G (0.37) ACHESLC22A12PKMMAPT

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-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 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-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT BCHE 1/4885ACHE 2/4885TP53 4595/4885

“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.