SCHEMBL8168568

SCHEMBL8168568

CCCCc1nc2cc(NC(=S)Nc3ccccc3)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
NTRK1 P04629 2/20 0.45
NTRK2 Q16620 1/20 0.45
LMNA P02545 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PARP1 P09874 1/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8160305 0.88 MAPT (0.51) ALDH1A1MAPTMAOAMAOBRAB9A
SCHEMBL8146154 0.79 MAPT (0.55) ALDH1A1MAPTMAOAMAOBRAB9A
SCHEMBL8155134 0.78 MAPT (0.53) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL18893220 0.77 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL8159856 0.76 MAPT (0.58) ALDH1A1MAPTMAOAMAOBKDM4E
SCHEMBL12350686 0.75 PARP1 (0.52) RAB9AKDM4EPARP1NPC1
Benzene SCHEMBL28277475 0.74 POLB (0.77) ALDH1A1RAB9AGAAPARP1NPC1
SCHEMBL2364109 0.73 POLB (0.45) MAPTKDM4ETDP1L3MBTL1
SCHEMBL6684707 0.72 ALDH1A1 (0.72) ALDH1A1MAPTRAB9AGAALMNA
SCHEMBL379648 0.72 POLB (0.79) ALDH1A1RAB9APARP1NPC1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 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-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT ALDH1A1 1847/4885MAPT 730/4885MAOA 1958/4885

“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.