SCHEMBL2597543

SCHEMBL2597543

O=[N+]([O-])c1ccc(-c2ccc(-c3scc4c3OCCO4)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.55
POLB P06746 3/20 0.38
TERT O14746 1/20 0.36
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
MAPT P10636 6/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
METAP2 P50579 1/20 0.35
XDH P47989 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL2597770 0.87 POLB (0.42) APPPOLBTERTCHEK1CHEK2
SCHEMBL12185061 0.84 POLB (0.39) APPPOLBTERTCHEK1CHEK2
SCHEMBL12185556 0.84 POLB (0.39) APPPOLBTERTCHEK1CHEK2
SCHEMBL502612 0.81 BAZ2B (0.40) CHEK1CHEK2SMN1; SMN2LMNAALDH1A1
SCHEMBL2597534 0.80 APP (0.49) APPCHEK1CHEK2MAPTRAB9A
SCHEMBL18027617 0.79 BAZ2B (0.39) CHEK1CHEK2ALDH1A1GAAHPGD
SCHEMBL12491620 0.74 APP (1.00) APPMAPTLMNAALDH1A1XDH
SCHEMBL18073739 0.71 DPP4 (0.44) APPCHEK1CHEK2MAPTALDH1A1
SCHEMBL4145912 0.71 CHEK1 (0.48) CHEK1CHEK2MAPTRAB9ANPC1
SCHEMBL14867562 0.70 ABCG2 (0.34)

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 9 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

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 APP 1718/4885POLB 56/4885TERT 84/4885

“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.