SCHEMBL10045700

SCHEMBL10045700

CN(C)c1ccc(CCCN(CC(=O)O)C(=O)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MCL1 Q07820 1/20 0.45
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
GMNN O75496 1/20 0.42
CYP2D6 P10635 1/20 0.42
GABRA1 P14867 1/20 0.42
THPO P40225 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL10045691 0.94 ALDH1A1 (0.42) ALDH1A1MAPTNFKB1SMN1; SMN2MAPK1
SCHEMBL10045689 0.84 KMT2A (0.54) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL472311 0.77 ALDH1A1 (0.61) ALDH1A1MAPTNFKB1SMN1; SMN2MAPK1
SCHEMBL472281 0.73 FFAR1 (0.59) ALDH1A1MAPTNFKB1SMN1; SMN2MAPK1
SCHEMBL14944827 0.72 LMNA (0.37) ALDH1A1MAPTNFKB1SMN1; SMN2LMNA
SCHEMBL6310153 0.72 ALDH1A1 (0.64) ALDH1A1MAPTNFKB1SMN1; SMN2MAPK1
SCHEMBL8423246 0.72 KMT2A (0.53) ALDH1A1MAPTSMN1; SMN2MAPK1NPC1
SCHEMBL10045687 0.71 KMT2A (0.55) ALDH1A1MAPTSMN1; SMN2ALOX15TSHR
SCHEMBL14902842 0.70 ALDH1A1 (0.56) ALDH1A1MAPK1ALOX15LMNATSHR
SCHEMBL5702986 0.70 ALDH1A1 (0.55) ALDH1A1MAPTNFKB1SMN1; SMN2MAPK1

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-2595613-B1 COMPOUNDS FOR USE IN A METHOD OF PREVENTING OR TREATING VIRAL INFECTION US HEALTH (US) 2019-01-09 EP disclosed
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US disclosed
WO-2012012627-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-01-26 WO 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A ALDH1A1 1149/4885MAPT 4218/4885NFKB1 354/4885

“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.