SCHEMBL17101669

SCHEMBL17101669

CCCCCCCCCCCCN(C(=O)OC(C)(C)C)c1csc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
NPY2R P49146 1/20 0.35

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
SCHEMBL4838597 0.81 CTSL (0.41) SMN1; SMN2NPC1RAB9APAX8CTSL
SCHEMBL28823423 0.78 TP53 (0.62) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28039137 0.78 TP53 (0.62) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28039146 0.78 TP53 (0.62) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28038889 0.78 TP53 (0.62) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL18661149 0.76 PAX8 (0.45) SMN1; SMN2NPC1RAB9APAX8CTSL
SCHEMBL29837177 0.76 TP53 (0.43) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28038837 0.75 KDM4E (0.41) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28038835 0.73 TP53 (0.54) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL28823462 0.73 NCEH1 (0.41) ALDH1A1TP53NPC1JAK2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10367143-B2 Organic semiconducting compounds MERCK PATENT GMBH (DE) 2019-07-30 US disclosed
US-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
US-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-03-23 US disclosed
EP-3119776-A1 ORGANIC SEMICONDUCTING COMPOUNDS Merck Patent GmbH (DE) 2017-01-25 EP disclosed
WO-2015139802-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2015-09-24 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 (2 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-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS PPOX, OSTC, OCIAD1 SMN1; SMN2 4766/4885ALDH1A1 2904/4885TP53 2499/4885
US-10367143-B2 Organic semiconducting compounds PPOX, OSTC, OCIAD1 SMN1; SMN2 4766/4885ALDH1A1 2904/4885TP53 2499/4885

“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.