SCHEMBL13320196

SCHEMBL13320196

[2H]C([2H])([2H])c1ccc2[nH]c3c(c2c1)CN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
PABPC1 P11940 1/20 0.65
ATM Q13315 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
BAZ2B Q9UIF8 11/20 0.60
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 3/20 0.51
CASP1 P29466 3/20 0.51
CASP7 P55210 2/20 0.51
USP2 O75604 1/20 0.51
CFTR P13569 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2832897 0.92 LMNA (0.76) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL31117423 0.86 LMNA (0.64) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL10127719 0.86 LMNA (0.66) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL30228387 0.86 TRPV1 (0.59) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL5104575 0.85 BAZ2B (0.71) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL16140457 0.85 BAZ2B (0.71) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL21114757 0.85 BAZ2B (0.71) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL409534 0.85 BAZ2B (0.71) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL3312381 0.84 LMNA (0.57) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL21162488 0.84 BAZ2B (0.74) LMNAPABPC1ATMSMN1; SMN2BAZ2B

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-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 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-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE GRIN3A, GRIK5, CHRNA5 LMNA 3662/4885PABPC1 4237/4885ATM 2317/4885

“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.