SCHEMBL16494644

SCHEMBL16494644

C=C(C)CN(C(C)=O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.49
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
BCL2A1 Q16548 2/20 0.45
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42
RNF4 P78317 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
ESR2 Q92731 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41

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
SCHEMBL7106756 0.85 KEAP1 (0.55) TSPOTSHRKMT2ASMN1; SMN2KEAP1
SCHEMBL30278608 0.82 TSPO (0.48) TSPOTSHRMAPTKMT2ASMN1; SMN2
SCHEMBL15984777 0.81 SMN1; SMN2 (0.62) TSPOTSHRMAPTKMT2ASMN1; SMN2
SCHEMBL1607897 0.81 MEN1 (0.42) TSPOKMT2ASMN1; SMN2KEAP1NFE2L2
SCHEMBL28431105 0.79 MMP2 (0.45) KMT2ABCL2A1ALDH1A1
SCHEMBL3022089 0.79 ALDH1A1 (0.40) TSHRKMT2ASMN1; SMN2BCL2A1ALDH1A1
SCHEMBL28432352 0.79 ALDH1A1 (0.40) MAPTKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL6511106 0.79 ALDH1A1 (0.50) TSPOTSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14756133 0.77 TSPO (0.49) TSPOTSHRMAPTKMT2ASMN1; SMN2
SCHEMBL8712793 0.77 TSPO (0.49) TSPOTSHRMAPTKMT2ASMN1; SMN2

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-2394990-A1 INDOLINE DERIVATIVES Kyoto University (JP) 2011-12-14 EP disclosed
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 TSPO 3994/4885TSHR 1031/4885MAPT 2067/4885

“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.