SCHEMBL10153249

SCHEMBL10153249

CCn1nnn(-c2ccc(Cl)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
PTGS2 P35354 2/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ELANE P08246 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
ROCK2 O75116 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2611112 0.80 PTGS2 (0.46) NOTUMPTGS2MAPTALDH1A1ELANE
SCHEMBL16297183 0.78 TSHR (0.54) PTGS2MAPTALDH1A1CYP2C19NPC1
SCHEMBL16295467 0.76 ROCK2 (0.47) MAPTTDO2ROCK2NPC1RAB9A
SCHEMBL16296054 0.74 ROCK2 (0.51) MAPTALDH1A1CYP2C19IDO1TDO2
SCHEMBL22349806 0.73 PDE4B (0.45) ALDH1A1ROCK2GAA
SCHEMBL16296374 0.73 ROCK2 (0.52) MAPTIDO1TDO2ROCK2KMT2A
SCHEMBL5906041 0.72 POLB (0.43) MAPTALDH1A1CYP3A4CYP2C19ROCK2
SCHEMBL17626032 0.72 ROCK2 (0.39) ROCK2
SCHEMBL16296362 0.71 ROCK2 (0.65) IDO1ROCK2POLB
SCHEMBL13603854 0.71 NR4A1 (0.39) NOTUMMAPTALDH1A1ROCK2SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745398-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-18 US disclosed
US-8101550-B2 Anthranilic acid diamide derivative with hetero-aromatic and hetero-cyclic substituents BAYER CROPSCIENCE AG (DE) 2012-01-24 US disclosed
US-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-04 US 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-10745398-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP4X1, CYP1A1, CYP8B1 NOTUM 1584/4885PTGS2 640/4885MAPT 4754/4885
US-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS DDT, ANTXR2, QDPR NOTUM 2929/4885PTGS2 2019/4885MAPT 4293/4885

“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.