SCHEMBL14963000

SCHEMBL14963000

CC[N+]1=C(C)C(C)(C)c2c1ccc1c(C)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.46
THRB P10828 3/20 0.46
RECQL P46063 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.43
APEX1 P27695 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2A6 P11509 2/20 0.42
PRMT1 Q99873 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CES1 P23141 3/20 0.33
HIF1A Q16665 3/20 0.33
EPAS1 Q99814 3/20 0.33
CES2 O00748 2/20 0.33
KDM1A O60341 2/20 0.33
PTPN6 P29350 2/20 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
SCHEMBL17988759 0.81 MEN1 (0.51) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL17988751 0.80 TTR (0.42) TDP1MAPTMEN1KMT2ALMNA
Iodide SCHEMBL2845889 0.79 MEN1 (0.65) TDP1MAPTMEN1KMT2ALMNA
Bromide SCHEMBL31674744 0.79 MEN1 (0.65) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL14963017 0.79 KDM4E (0.38) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL12146276 0.75 LMNA (0.59) TDP1MAPTMEN1KMT2ALMNA
Iodide SCHEMBL20557372 0.72 LMNA (0.48) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL17918191 0.71 MAPT (0.43) TDP1MAPTMEN1KMT2ALMNA
Iodide SCHEMBL20557975 0.70 MAPT (0.46) TDP1MAPTMEN1KMT2ALMNA
SCHEMBL14347674 0.69 MEN1 (0.42) TDP1MAPTMEN1KMT2ALMNA

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-8835484-B2 Naphthocyanines for use as contrast agents ALAMEDICS GMBH & CO. KG (DE) 2014-09-16 US disclosed
US-20130131354-A1 Naphthocyanines for Use as Contrast Agents AIAMEDICS GmbH & Co. KG (DE) 2013-05-23 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-20130131354-A1 Naphthocyanines for Use as Contrast Agents NPM1, UACA, INCENP TDP1 4815/4885MAPT 932/4885MEN1 314/4885

“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.