SCHEMBL2099417

SCHEMBL2099417

O=[N+]([O-])c1ccc2nc(-c3ccc(N4CCNCC4)nc3)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
SLC6A4 P31645 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
LMNA P02545 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
APOBEC3A P31941 1/20 0.49
RAB9A P51151 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ILK Q13418 1/20 0.47
CCNE1 P24864 1/20 0.46

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
SCHEMBL5104004 0.88 RAB9A (0.49) ALDH1A1CYP3A4LMNANPSR1NPC1
SCHEMBL2099129 0.85 RAB9A (0.53) ALDH1A1CYP3A4LMNANPSR1NPC1
SCHEMBL2099132 0.85 RAB9A (0.53) ALDH1A1CYP3A4LMNANPSR1NPC1
SCHEMBL2055191 0.84 MAPT (0.54) ALDH1A1NPC1RAB9AILKAPP
SCHEMBL27756723 0.81 NFKB1 (0.53) ALDH1A1LMNANPC1RAB9AILK
Trifluoroacetic Acid SCHEMBL2099569 0.81 RAB9A (0.46) ALDH1A1NPC1APOBEC3ARAB9AAPOBEC3G
SCHEMBL2055260 0.80 MAPT (0.50) ALDH1A1LMNARAB9AMAPT
SCHEMBL2055187 0.79 APP (0.58) ILKAPP
SCHEMBL2711602 0.78 RAB9A (0.79) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL2055201 0.77 NTRK1 (0.51) ALDH1A1CYP1A2CYP3A4LMNANPSR1

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 7 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
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
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 ALDH1A1 2100/4885HTR3E 509/4885HTR3B 564/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 ALDH1A1 1704/4885HTR3E 383/4885HTR3B 464/4885

“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.