SCHEMBL3129145

SCHEMBL3129145

CC(C)(C)OC(=O)c1ccc(NCc2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.54
LTA4H P09960 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.52
NAMPT P43490 3/20 0.52
POLB P06746 3/20 0.52
GAA P10253 2/20 0.52
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL6727719 0.87 CA1 (0.69) ALDH1A1KMT2ALTA4HCA1CA2
SCHEMBL3129375 0.86 CA1 (0.51) ALDH1A1KMT2ACA1CA2LMNA
SCHEMBL1711035 0.84 CA1 (0.73) ALDH1A1CA1CA2HTTMAPT
SCHEMBL15876086 0.81 HIF1A (0.58) ALDH1A1KMT2ACA1CA2LMNA
SCHEMBL16585734 0.80 KMT2A (0.65) ALDH1A1KMT2ALTA4HCA1CA2
SCHEMBL2636669 0.80 LTA4H (0.69) ALDH1A1KMT2ALTA4HHTTMAPT
SCHEMBL28974471 0.78 HTT (0.49) ALDH1A1KMT2ALTA4HHTTLMNA
SCHEMBL28974474 0.78 HTT (0.49) ALDH1A1KMT2ALTA4HHTTLMNA
SCHEMBL30680300 0.78 HTT (0.49) ALDH1A1KMT2ALTA4HHTTLMNA
SCHEMBL16355719 0.78 CA1 (0.57) ALDH1A1KMT2ACA1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 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 (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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B ALDH1A1 190/4885KMT2A 1324/4885LTA4H 175/4885

“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.