SCHEMBL13041730

SCHEMBL13041730

[C-]#[N+]c1cc2nc(CO)n(CCC(C)C)c2cc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
CNR2 P34972 7/20 0.38
TNF P01375 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CNR1 P21554 1/20 0.33
OPRM1 P35372 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3740314 0.81 TSHR (0.41) TSHRMAPK1CNR2TNFBCHE
SCHEMBL13041654 0.80 TSHR (0.48) TSHRMAPK1CNR2BCHEACHE
SCHEMBL3734997 0.78 TSHR (0.40) TSHRMAPK1CNR2TNFBCHE
SCHEMBL3731195 0.74 BCHE (0.40) TSHRMAPK1CNR2BCHEACHE
SCHEMBL7887333 0.74 MC4R (0.39) CNR2BCHEACHEHDAC1
SCHEMBL3733588 0.72 CNR2 (0.51) TSHRMAPK1CNR2BCHEACHE
SCHEMBL7745731 0.72 TSHR (0.50) TSHRMAPK1CNR2BCHEACHE
SCHEMBL6247270 0.72 MAPK1 (0.50) TSHRMAPK1CNR2BCHEACHE
SCHEMBL6242878 0.72 MAPK1 (0.50) TSHRMAPK1CNR2BCHEACHE
SCHEMBL6216271 0.69 TSHR (0.47) TSHRMAPK1CNR2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 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 (1 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 TSHR 548/4885MAPK1 2919/4885CNR2 2323/4885

“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.