SCHEMBL4397138

SCHEMBL4397138

N#CC(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.45
CES1 P23141 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CES2 O00748 1/20 0.43
SRD5A2 P31213 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRM4 Q14833 1/20 0.42

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
SCHEMBL6806749 0.85 TSHR (0.49) TDP1ALDH1A1CES1MEN1KMT2A
SCHEMBL3583934 0.85 MAPT (0.50) TDP1ALDH1A1CES1MEN1KMT2A
SCHEMBL20746256 0.81 SLC6A3 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6244627 0.81 NPC1 (0.44) TDP1ALDH1A1CES1MEN1KMT2A
SCHEMBL10477894 0.80 MEN1 (0.46) TDP1ALDH1A1CES1MEN1KMT2A
SCHEMBL19926029 0.80 CES1 (0.53) TDP1ALDH1A1CES1MEN1KMT2A
SCHEMBL11214879 0.80 TDP1 (0.55) TDP1ALDH1A1CES1MEN1KMT2A
SCHEMBL2815023 0.79 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2761873 0.77 ALDH1A1 (0.46) TDP1ALDH1A1CES1MEN1KMT2A
SCHEMBL2162514 0.77 ALDH1A1 (0.53) TDP1ALDH1A1CES1MEN1KMT2A

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
US-7632954-B2 Sym-N-(n-hexyl)-5-bromotriindole; Sym-N-(n-hexyl)-5-phenyltriindole; Sym-N-(n-hexyl)-[2-cyano-2-(4-pyridyl)vinyl]triindole; electrification preventions, electrification controls, capacitors, batteries, chemical sensors, displays, organic EL materials, solar cells, photodiodes, phototransistors; fibers IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-15 US disclosed
US-20070191455-A1 Substituted sym-triindole IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-16 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-20070191455-A1 Substituted sym-triindole RTF1, ETF1, RTF2 TDP1 730/4885ALDH1A1 1091/4885CES1 4211/4885

“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.