SCHEMBL7049037

SCHEMBL7049037

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCCC(C(=O)c1nc(C(=O)NCc2ccncc2)co1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.39
GAA P10253 1/20 0.37
CYP3A4 P08684 3/20 0.37
EPHX1 P07099 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
SLC1A3 P43003 1/20 0.35
SLC1A1 P43005 1/20 0.35
LMNA P02545 1/20 0.35
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7046299 0.93 L3MBTL1 (0.44) KCNA5CYP3A4EPHX1TSHRLMNA
SCHEMBL7047980 0.92 TBXA2R (0.37) KCNA5CYP3A4MAPTSLC1A3SLC1A1
SCHEMBL7045334 0.90 CYP1A2 (0.42) KCNA5CYP3A4MAPTTSHRALDH1A1
SCHEMBL7186575 0.89 CACNA1H (0.37) KCNA5MAPTSLC1A3SLC1A1LMNA
SCHEMBL7049297 0.89 HPGD (0.40) KCNA5GAACYP3A4MAPTSLC1A3
SCHEMBL7044845 0.88 KCNA5 (0.39) KCNA5CYP3A4SLC1A3SLC1A1LMNA
SCHEMBL7047185 0.84 CTSL (0.37) CYP3A4TSHRSLC1A3SLC1A1ALDH1A1
SCHEMBL6063739 0.80 IDO1 (0.35) KCNA5CYP3A4TSHRSLC1A3SLC1A1
SCHEMBL7183275 0.80 MEN1 (0.38) L3MBTL1POLB
SCHEMBL6465943 0.79 ANPEP (0.44) KCNA5CYP3A4MAPTSLC1A3SLC1A1

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ KCNA5 4351/4885GAA 292/4885CYP3A4 1183/4885

“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.