SCHEMBL4399847

SCHEMBL4399847

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
MMP14 P50281 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CES2 O00748 1/20 0.47
SRD5A2 P31213 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
LMNA P02545 2/20 0.46
GSK3B P49841 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7918197 0.78 CES1 (0.61) CES1CA1CA2TDP1ALDH1A1
SCHEMBL29410421 0.77 CES1 (0.53) CES1CA1CA2TDP1ALDH1A1
SCHEMBL4474269 0.76 TDP1 (0.55) CES1CA1CA2TDP1ALDH1A1
SCHEMBL4472665 0.74 TSHR (0.56) CES1CA1CA2TDP1ALDH1A1
SCHEMBL15727530 0.74 CYP1A2 (0.52) CES1CA1CA2TDP1ALDH1A1
SCHEMBL9426915 0.74 CES1 (0.50) CES1CA1CA2TDP1ALDH1A1
SCHEMBL9101247 0.74 CES1 (0.50) CES1CA1CA2TDP1ALDH1A1
SCHEMBL14790553 0.74 CES1 (0.50) CES1CA1CA2TDP1ALDH1A1
SCHEMBL14156089 0.74 CES1 (0.50) CES1CA1CA2TDP1ALDH1A1
SCHEMBL1702849 0.74 MAPK1 (0.56) CES1CA1CA2TDP1ALDH1A1

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 3 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
EP-1717239-A1 SUBSTITUTED SYM-TRIINDOLE Ihara Chemical Industry Co., Ltd. (JP) 2006-11-02 EP 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 CES1 4211/4885CA1 1861/4885CA2 2522/4885

“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.