SCHEMBL2099129

SCHEMBL2099129

O=C(O)N1CCN(c2ccc(-c3nc4ccc([N+](=O)[O-])cc4s3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.52
MGLL Q99685 1/20 0.49
NPC1 O15118 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
ATM Q13315 1/20 0.43
ILK Q13418 1/20 0.43
APP P05067 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL2099132 1.00 RAB9A (0.53) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL5104004 0.87 RAB9A (0.49) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL2055260 0.87 MAPT (0.50) RAB9AALDH1A1MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2099569 0.86 RAB9A (0.46) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL2099417 0.85 ALDH1A1 (0.56) RAB9AALDH1A1MAPTNPC1APOBEC3A
SCHEMBL5140574 0.84 RAB9A (0.44) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL5140575 0.84 RAB9A (0.44) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL31589586 0.80 MGLL (0.60) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL1725148 0.77 MAPT (0.68) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL1725143 0.77 MAPT (0.68) ALDH1A1MAPTMEN1KMT2AMAPK1

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-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-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 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 RAB9A 2522/4885ALDH1A1 2100/4885MAPT 2/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 RAB9A 3260/4885ALDH1A1 1704/4885MAPT 1/4885

“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.