SCHEMBL12410027

SCHEMBL12410027

COc1cc([N+](=O)[O-])n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
GRK5 P34947 1/20 0.37
LIMK1 P53667 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTR7 P34969 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
TXNRD1 Q16881 2/20 0.33
PABPC1 P11940 1/20 0.33
PKM P14618 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 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
SCHEMBL18418867 0.81 MAPT (0.37) CHEK1DAPK3GRK5LIMK1SMN1; SMN2
SCHEMBL21291535 0.77 CHEK1 (0.39) CHEK1DAPK3GRK5LIMK1SMN1; SMN2
SCHEMBL18418866 0.75 CHEK1 (0.40) CHEK1DAPK3GRK5LIMK1SMN1; SMN2
SCHEMBL12025942 0.75 CHEK1 (0.43) CHEK1DAPK3GRK5LIMK1SMN1; SMN2
SCHEMBL610407 0.73 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL12494921 0.70 PKM (0.37) CHEK1DAPK3GRK5LIMK1SMN1; SMN2
SCHEMBL15814352 0.69 L3MBTL1 (0.37) CHEK1DAPK3GRK5LIMK1MAPT
SCHEMBL15813569 0.69 VCAM1 (0.37) CHEK1DAPK3GRK5LIMK1SMN1; SMN2
SCHEMBL15834231 0.69 CHEK1 (0.36) CHEK1DAPK3GRK5LIMK1SMN1; SMN2
SCHEMBL15764571 0.69 MAPT (0.48) CHEK1DAPK3GRK5LIMK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 CHEK1 1842/4885DAPK3 2559/4885GRK5 109/4885

“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.