SCHEMBL12371556

SCHEMBL12371556

O=C(CCc1c[nH]c2ccccc12)NNC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.78
ALDH1A1 P00352 2/20 0.78
GAA P10253 1/20 0.78
HPGD P15428 1/20 0.70
HTT P42858 1/20 0.70
RECQL P46063 1/20 0.70
GFER P55789 1/20 0.67
FAAH O00519 1/20 0.64
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
CTSL P07711 1/20 0.63
POLB P06746 2/20 0.62
AANAT Q16613 1/20 0.61
KDM4E B2RXH2 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CYP1A2 P05177 2/20 0.60
MPO P05164 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2A6 P11509 1/20 0.60

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
SCHEMBL21178436 0.89 MAPT (0.64) MAPTALDH1A1GAAHPGDHTT
SCHEMBL1520411 0.89 MAPT (0.76) MAPTALDH1A1GAAHPGDHTT
SCHEMBL393877 0.88 MAPT (1.00) MAPTALDH1A1GAAHPGDHTT
SCHEMBL6275395 0.88 ALDH1A1 (0.74) MAPTALDH1A1GAAHPGDHTT
SCHEMBL4445634 0.87 LMNA (0.61) MAPTALDH1A1GAAHPGDHTT
SCHEMBL7677886 0.86 MEN1 (0.84) MAPTALDH1A1GAAGFERKMT2A
SCHEMBL13973308 0.85 MAPT (0.74) MAPTALDH1A1GAAHPGDHTT
SCHEMBL31447965 0.85 MAPT (0.70) MAPTALDH1A1GAAHPGDHTT
SCHEMBL23157221 0.84 MAPT (0.68) MAPTALDH1A1GAAHPGDHTT
SCHEMBL7838803 0.84 LMNA (0.76) MAPTALDH1A1GAAHPGDHTT

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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-08-25 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-20110207726-A1 Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S CTSB, CTSS, CTSV MAPT 2627/4885ALDH1A1 4065/4885GAA 37/4885

“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.