SCHEMBL4166806

SCHEMBL4166806

CN(C(=O)O)c1ccc(-c2nc3ccc(C(N)=O)cc3s2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.65
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
POLB P06746 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
MITF O75030 1/20 0.51
RECQL P46063 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
KLF5 Q13887 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2055272 0.86 APP (0.58) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL23753411 0.83 MAPT (0.55) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL11909979 0.82 APP (0.74) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL4167569 0.82 RAB9A (0.54) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL11909977 0.81 APP (0.60) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL2098212 0.80 APP (0.58) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL2055249 0.79 APP (1.00) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL1754153 0.79 APP (0.69) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL2100061 0.79 PAX8 (0.60) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL4166800 0.78 APP (0.65) APPKDM4ENPC1ALDH1A1RAB9A

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-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
EP-1981883-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086800-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES ASTRAZENECA AB (SE) 2007-08-02 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-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles APP, MAPT, PSEN1 APP 1/4885KDM4E 2091/4885NPC1 94/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 APP 2/4885KDM4E 2768/4885NPC1 156/4885

“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.