SCHEMBL7044845

SCHEMBL7044845

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCCC(C(=O)c1nc(C(=O)NCc2ccccc2Cl)co1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.39
CASR P41180 1/20 0.36
HPGD P15428 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A1 P43005 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB1 P19838 2/20 0.34
PSMB5 P28074 2/20 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
SCHEMBL7047980 0.91 TBXA2R (0.37) KCNA5LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL7186575 0.89 CACNA1H (0.37) KCNA5HPGDLMNAALDH1A1L3MBTL1
SCHEMBL7049037 0.88 KCNA5 (0.39) KCNA5LMNAALDH1A1L3MBTL1SLC1A3
SCHEMBL7049297 0.88 HPGD (0.40) KCNA5HPGDNPC1LMNAALDH1A1
SCHEMBL7046299 0.87 L3MBTL1 (0.44) KCNA5HPGDLMNAALDH1A1HTT
SCHEMBL7045334 0.87 CYP1A2 (0.42) KCNA5ALDH1A1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL7047185 0.82 CTSL (0.37) ALDH1A1SMN1; SMN2SLC1A3SLC1A1CYP1A2
SCHEMBL7045973 0.80 PSMB5 (0.40) KCNA5HPGDNPC1LMNAALDH1A1
SCHEMBL7183275 0.78 MEN1 (0.38) SMN1; SMN2L3MBTL1CYP2C19
SCHEMBL6063739 0.78 IDO1 (0.35) KCNA5LMNAALDH1A1L3MBTL1SLC1A3

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 2 patents. 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
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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 4351/4885CASR 2277/4885HPGD 536/4885

“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.