SCHEMBL2597770

SCHEMBL2597770

O=[N+]([O-])c1ccc(-c2scc3c2OCCO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
CHEK1 O14757 2/20 0.42
CHEK2 O96017 2/20 0.42
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
APP P05067 1/20 0.40
METAP2 P50579 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TERT O14746 2/20 0.37
HPGD P15428 1/20 0.37
BAZ2B Q9UIF8 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
SCHEMBL12185556 0.91 POLB (0.39) POLBCHEK1CHEK2MAPTRAB9A
SCHEMBL12185061 0.91 POLB (0.39) POLBCHEK1CHEK2MAPTRAB9A
SCHEMBL2597543 0.87 APP (0.55) POLBCHEK1CHEK2MAPTRAB9A
SCHEMBL4145912 0.84 CHEK1 (0.48) CHEK1CHEK2MAPTRAB9ANPC1
SCHEMBL2635381 0.82 CHEK1 (0.47) CHEK1CHEK2MAPTRAB9ANPC1
SCHEMBL13029024 0.80 CHEK1 (0.44) POLBCHEK1CHEK2MAPTMEN1
SCHEMBL7901766 0.76 CHEK1 (0.49) CHEK1CHEK2MAPTRAB9ANPC1
SCHEMBL17725525 0.76 CHEK1 (0.46) CHEK1CHEK2MAPTRAB9ANPC1
SCHEMBL29064104 0.76 CHEK1 (0.43) CHEK1CHEK2MAPTRAB9ANPC1
SCHEMBL12414590 0.76 CHEK1 (0.42) CHEK1CHEK2MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056872-B2 Organic compounds, process for preparing same and uses in electronics Universite Paris Diderot—Paris 7 (FR) 2015-06-16 US disclosed
US-9056872-B2 Organic compounds, process for preparing same and uses in electronics Universite Paris Diderot—Paris 7 (FR) 2015-06-16 US disclosed
US-9056872-B2 Organic compounds, process for preparing same and uses in electronics Universite Paris Diderot—Paris 7 (FR) 2015-06-16 US disclosed
US-20130079529-A1 ORGANIC COMPOUNDS, PROCESS FOR PREPARING SAME AND USES IN ELECTRONICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-03-28 US disclosed
US-20130079529-A1 ORGANIC COMPOUNDS, PROCESS FOR PREPARING SAME AND USES IN ELECTRONICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-03-28 US disclosed
US-20130079529-A1 ORGANIC COMPOUNDS, PROCESS FOR PREPARING SAME AND USES IN ELECTRONICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-03-28 US disclosed
EP-2571886-A2 ORGANIC COMPOUNDS, PROCESS FOR PREPARING SAME AND USES IN ELECTRONICS Université Paris Diderot - Paris 7 (FR) 2013-03-27 EP disclosed
WO-2011144873-A2 ORGANIC COMPOUNDS, PROCESS FOR PREPARING SAME AND USES IN ELECTRONICS UNIVERSITE PARIS DIDEROT - PARIS 7 (FR) 2011-11-24 WO disclosed
WO-2011144873-A2 ORGANIC COMPOUNDS, PROCESS FOR PREPARING SAME AND USES IN ELECTRONICS UNIVERSITE PARIS DIDEROT - PARIS 7 (FR) 2011-11-24 WO disclosed
US-6130339-A Electro-active monomers comprised of aniline-thiophene units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2000-10-10 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-20130079529-A1 ORGANIC COMPOUNDS, PROCESS FOR PREPARING SAME AND USES IN ELECTRONICS OR10J3, AOX1, EPCAM POLB 56/4885CHEK1 1621/4885CHEK2 1652/4885

“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.