SCHEMBL2597584

SCHEMBL2597584

Nc1ccc(-c2sc(-c3scc4c3OCCO4)c3c2OCCO3)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.42
CHEK2 O96017 3/20 0.42
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
BAZ2B Q9UIF8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.31
BRD4 O60885 1/20 0.31
TSHR P16473 1/20 0.31
APP P05067 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL12185503 1.00 CHEK1 (0.42) CHEK1CHEK2MAPTRAB9ASMN1; SMN2
SCHEMBL7901766 0.89 CHEK1 (0.49) CHEK1CHEK2MAPTRAB9ASMN1; SMN2
SCHEMBL6370890 0.84 BAZ2B (0.42) CHEK1CHEK2ALDH1A1BAZ2BGAA
SCHEMBL12395230 0.84 BAZ2B (0.42) CHEK1CHEK2ALDH1A1BAZ2BGAA
SCHEMBL10313033 0.84 BAZ2B (0.42) CHEK1CHEK2ALDH1A1BAZ2BGAA
SCHEMBL19899441 0.84 MAPT (0.41) CHEK1CHEK2MAPTRAB9ASMN1; SMN2
SCHEMBL12393768 0.82 NPC1 (0.38) CHEK1CHEK2MAPTRAB9ASMN1; SMN2
SCHEMBL14207868 0.81 CHEK1 (0.40) CHEK1CHEK2BAZ2BHTTTSHR
SCHEMBL2597534 0.81 APP (0.49) CHEK1CHEK2MAPTRAB9ASMN1; SMN2
SCHEMBL4145912 0.81 CHEK1 (0.48) CHEK1CHEK2MAPTRAB9ASMN1; SMN2

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 8 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

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 CHEK1 1621/4885CHEK2 1652/4885MAPT 3875/4885

“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.