SCHEMBL2098949

SCHEMBL2098949

C[Sn](C)(C)c1ccc(C(N)=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
SIRT6 Q8N6T7 2/20 0.42
NNMT P40261 4/20 0.39
ADORA3 P0DMS8 1/20 0.38
TSHR P16473 1/20 0.38
MC4R P32245 1/20 0.38
ADRA1A P35348 1/20 0.38
MC3R P41968 1/20 0.38
APP P05067 2/20 0.37
LCK P06239 1/20 0.37
NAMPT P43490 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
VNN1 O95497 1/20 0.35
GSK3B P49841 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
P4HA1 P13674 1/20 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
SCHEMBL1674384 0.75 KMT2A (0.41) KMT2ASIRT6NNMTADORA3TSHR
SCHEMBL171039 0.74 KMT2A (0.53) KMT2ASIRT6NNMTADORA3TSHR
SCHEMBL4768283 0.73 KMT2A (0.57) KMT2ASIRT6NNMTADORA3TSHR
SCHEMBL3163574 0.71 KMT2A (0.55) KMT2ASIRT6NNMTADORA3TSHR
SCHEMBL1831265 0.71 KMT2A (0.55) KMT2ASIRT6NNMTADORA3TSHR
SCHEMBL978974 0.71 NNMT (0.63) KMT2ASIRT6NNMTVNN1P4HA1
SCHEMBL4600085 0.71 KMT2A (0.50) KMT2ASIRT6NNMTVNN1P4HA1
SCHEMBL31654129 0.71 KMT2A (0.55) KMT2ASIRT6NNMTADORA3TSHR
SCHEMBL157129 0.69 KDM4E (0.67) KMT2ASIRT6NNMTADORA3TSHR
SCHEMBL3376769 0.69 KMT2A (0.53) KMT2ASIRT6NNMTADORA3TSHR

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 9 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-20100092385-A1 Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives ASTRAZENECA AB (SE) 2010-04-15 US disclosed
EP-2125800-A1 NOVEL HETEROARYL SUBSTITUTED IMIDAZO Ý1,2 -A¨PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2009-12-02 EP 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-2008091195-A1 NOVEL HETEROARYL SUBSTITUTED IMIDAZO [1,2 -A] PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-07-31 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 (3 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 KMT2A 2021/4885SIRT6 3068/4885NNMT 1532/4885
US-20100092385-A1 Novel Heteroaryl Substituted Imidazo [1,2-A] Pyridine Derivatives APP, PSEN1, PSEN2 KMT2A 2816/4885SIRT6 2044/4885NNMT 779/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 KMT2A 2764/4885SIRT6 2075/4885NNMT 1372/4885

“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.