SCHEMBL10105249

SCHEMBL10105249

CNc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 6/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
THRB P10828 3/20 0.37
GAA P10253 3/20 0.37
RECQL P46063 2/20 0.37
BACE1 P56817 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NOX1 Q9Y5S8 1/20 0.37
ADRA2A P08913 2/20 0.37
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL9615809 0.90 MAPT (0.46) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL6243535 0.82 MAPT (0.44) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL11598684 0.82 L3MBTL1 (0.44) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL6142368 0.81 MAPT (0.39) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL8073451 0.80 MAPT (0.44) ALDH1A1KDM4ETDP1MAPTMEN1
Hydrochloric Acid SCHEMBL8038931 0.79 MAPT (0.43) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL3202085 0.79 KMT2A (0.39) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL4408209 0.79 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL5682744 0.79 EGFR (0.49) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL7039465 0.79 MAPT (0.46) ALDH1A1KDM4ETDP1MAPTMEN1

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
EP-2010494-B1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES OREAL (FR) 2012-02-01 EP disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885KDM4E 1429/4885TDP1 4586/4885

“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.