SCHEMBL7147624

SCHEMBL7147624

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7049043 0.82 MAPT (0.38) MAPTMAPK1SLC1A3SLC1A1LMNA
SCHEMBL7044240 0.78 SLC1A3 (0.37) MAPTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL7044833 0.77 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7046555 0.77 SLC1A3 (0.36) MAPTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL7046326 0.77 MAPT (0.37) MAPTSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL7046404 0.75 MAPT (0.35) GAAALDH1A1MAPTMAPK1TDP1
SCHEMBL7042863 0.74 KCNA5 (0.37) ALDH1A1CYP3A4MAPTSLC1A3SLC1A1
SCHEMBL7045361 0.74 ATM (0.37) MAPTMAPK1ITGB3ITGAV
SCHEMBL7046903 0.73 TBXA2R (0.35) ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL7044814 0.73 SGMS2 (0.37) GAAALDH1A1CYP3A4CYP2D6MAPT

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 HDAC3 266/4885HDAC4 896/4885HDAC1 304/4885

“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.