SCHEMBL7044837

SCHEMBL7044837

CC(CCNC(=O)Oc1cccnc1)CC(=O)NCCC(C(=O)c1ncc(-c2ccccc2)o1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
FAAH O00519 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MGLL Q99685 2/20 0.35
TSHR P16473 3/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNA5 P22460 1/20 0.34
LMNA P02545 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
SCHEMBL7046917 0.84 HDAC1 (0.40) MAPTSMN1; SMN2L3MBTL1HDAC1HDAC6
SCHEMBL7047771 0.77 EPHX1 (0.38) EPHX2EPHX1L3MBTL1FAAHMGLL
SCHEMBL7044832 0.73 HDAC6 (0.41) HDAC1HDAC6FAAHHDAC3HDAC2
SCHEMBL6467339 0.72 HDAC1 (0.58) HDAC1HDAC6FAAHHDAC3HDAC2
SCHEMBL7045315 0.70 KMT2A (0.39) MAPTSMN1; SMN2ALDH1A1HDAC1HDAC6
SCHEMBL27823605 0.69 FAAH (0.53) EPHX2MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7046299 0.69 L3MBTL1 (0.44) EPHX2SMN1; SMN2ALDH1A1RAB9AEPHX1
SCHEMBL7046968 0.67 ELANE (0.44) MAPTSMN1; SMN2L3MBTL1LMNAHTT
SCHEMBL6475534 0.67 SMN1; SMN2 (0.39) MAPTSMN1; SMN2ALDH1A1RAB9ACYP2C9
SCHEMBL6465943 0.66 ANPEP (0.44) EPHX2MAPTSMN1; SMN2ALDH1A1L3MBTL1

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 EPHX2 696/4885MAPT 2414/4885SMN1; SMN2 4034/4885

“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.