SCHEMBL3274550

SCHEMBL3274550

C=C(c1ccccc1N(CC)CC)c1ccccc1N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
BRPF1 P55201 1/20 0.35
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOX1 Q9Y5S8 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL9123840 0.89 MEN1 (0.42) TP53TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL136256 0.86 TP53 (0.35) TP53TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL9126049 0.84 TP53 (0.38) TP53TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL2277488 0.84 TP53 (0.34) TP53TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL2493417 0.83 TSHR (0.42) TP53TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7666183 0.80 TP53 (0.34) TP53TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL11754189 0.80 MAPT (0.33) TP53TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL166160 0.79 TP53 (0.61) TP53TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7673381 0.79 TP53 (0.36) TP53TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL1668024 0.78 TP53 (0.53) TP53TSHRALDH1A1SMN1; SMN2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019130-B1 NOVEL COMPOUND, OPTICAL FILTER USING THE COMPOUND, AND OPTICAL RECORDING MATERIAL ADEKA CORP (JP) 2012-12-05 EP disclosed
US-7695793-B2 Compound, optical filter and optical recording material using the same ADEKA CORPORATION (JP) 2010-04-13 US disclosed
US-20090137800-A1 NOVEL COMPOUND, OPTICAL FILTER AND OPTICAL RECORDING MATERIAL USING THE SAME ADEKA CORPORATION (JP) 2009-05-28 US disclosed
EP-2019130-A1 NOVEL COMPOUND, OPTICAL FILTER USING THE COMPOUND, AND OPTICAL RECORDING MATERIAL Adeka Corporation (JP) 2009-01-28 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-20090137800-A1 NOVEL COMPOUND, OPTICAL FILTER AND OPTICAL RECORDING MATERIAL USING THE SAME KCNQ2, KCNQ1, KCNQ4 TP53 3954/4885TSHR 3412/4885ALDH1A1 1949/4885

“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.