SCHEMBL2055191

SCHEMBL2055191

Nc1ccc2nc(-c3ccc(N4CCNCC4)nc3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
GAA P10253 7/20 0.54
KDM4E B2RXH2 6/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
GLA P06280 4/20 0.54
APP P05067 9/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 2/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 3/20 0.48
PTBP1 P26599 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL2055200 0.86 MAPT (0.54) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL2099417 0.84 ALDH1A1 (0.56) MAPTNPC1RAB9AAPPALDH1A1
SCHEMBL27756723 0.84 NFKB1 (0.53) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL2055187 0.84 APP (0.58) GAAGLAAPPILK
SCHEMBL2055201 0.79 NTRK1 (0.51) MAPTGAAKDM4ENPC1RAB9A
Trifluoroacetic Acid SCHEMBL2099048 0.78 APP (0.45) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL31647342 0.77 APP (0.39) MAPTNPC1RAB9AAPPSMN1; SMN2
SCHEMBL2055259 0.77 MAP4K4 (0.52) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL2055195 0.77 NPC1 (0.46) MAPTGAAKDM4ENPC1RAB9A
SCHEMBL34470490 0.77 RET (0.38) ITGA2B

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 17 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-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
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-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
CN-101410393-B Novel heteroaryl substituted benzothiazoles ASTRAZENECA AB 2012-01-25 CN disclosed
CN-101410393-A Novel heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2009-04-15 CN disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 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
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 MAPT 2/4885GAA 427/4885KDM4E 2091/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 MAPT 1/4885GAA 402/4885KDM4E 2768/4885

“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.