SCHEMBL14984136

SCHEMBL14984136

CN1C=C/C(=C/c2oc3ccccc3[n+]2CCCCCC[n+]2ccccc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BCHE P06276 11/20 0.33
ACHE P22303 11/20 0.33
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL14984135 0.85 KDM4E (0.40) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL13052541 0.82 MEN1 (0.41) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL3937983 0.77 NPC1 (0.44) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL3937994 0.77 NPC1 (0.44) KDM4EMEN1ALDH1A1KMT2ANPC1
Iodide SCHEMBL5918621 0.77 MEN1 (0.46) KDM4EMEN1ALDH1A1KMT2ANPC1
Iodide SCHEMBL5918618 0.77 MEN1 (0.46) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL278447 0.76 KDM4E (0.57) KDM4EMEN1ALDH1A1KMT2ANPC1
Iodide SCHEMBL1806983 0.75 KDM4E (0.59) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL10023152 0.68 KDM4E (0.47) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL10023149 0.67 KDM4E (0.48) KDM4EMEN1ALDH1A1KMT2ANPC1

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-20160280921-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. (US) 2016-09-29 US disclosed
US-20130137112-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. 2013-05-30 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-20130137112-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION CRYAA, CRYAB, HSPH1 KDM4E 4633/4885MEN1 3941/4885ALDH1A1 2438/4885

“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.