SCHEMBL3501285

SCHEMBL3501285

c1csc(-c2c[nH]nc2NCCNc2n[nH]cc2-c2cccs2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
GBA1 P04062 2/20 0.38
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
LTA4H P09960 1/20 0.37
SYK P43405 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
CDK8 P49336 1/20 0.36
PDE5A O76074 1/20 0.36
ADORA1 P30542 1/20 0.36
TDO2 P48775 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL3500942 0.78 KMT2A (0.42) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13312259 0.74 NPC1 (0.47) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL27410513 0.70 KDM4E (0.50) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL3092232 0.69 ADORA2A (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL3501772 0.68 SMN1; SMN2 (0.36) ADRA1DADRA1AADRA1BLTA4HMEN1
SCHEMBL27412090 0.66 LTA4H (0.47) LTA4HMEN1KMT2AKDM4EMAPT
SCHEMBL13312221 0.65 APP (0.78) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL7428184 0.64 TDO2 (0.40) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL2373414 0.62 MEN1 (0.42) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL27545086 0.62 RPS6KB2 (0.38) LTA4HMEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
EP-2121619-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2009-11-25 EP disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 APP 1/4885GBA1 49/4885ADRA1D 526/4885

“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.