SCHEMBL4406320

SCHEMBL4406320

[CH]=NN(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
ALOX15 P16050 1/20 0.55
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.36
EIF4H Q15056 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LRRK2 Q5S007 2/20 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
SCHEMBL6870805 0.72 ALDH1A1 (0.39) ALDH1A1ALOX15MEN1KMT2ANPSR1
SCHEMBL11876734 0.71 ALDH1A1 (0.55) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL3916108 0.71 ALDH1A1 (1.00) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL80329 0.71 ALDH1A1 (1.00) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL4406322 0.71 ALDH1A1 (0.55) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL8829009 0.71 ALDH1A1 (0.55) ALDH1A1ALOX15MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL10866136 0.69 ALDH1A1 (0.94) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL11271014 0.69 ALDH1A1 (0.94) ALDH1A1ALOX15MEN1KMT2AUSP2
Ammonia Solution, Strong SCHEMBL30606651 0.69 ALDH1A1 (0.94) ALDH1A1ALOX15MEN1KMT2AUSP2
SCHEMBL9292268 0.69 ALDH1A1 (0.94) ALDH1A1ALOX15MEN1KMT2AUSP2

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 ALDH1A1 1091/4885ALOX15 2664/4885MEN1 3630/4885

“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.