SCHEMBL7076807

SCHEMBL7076807

COC(=O)CC1Cc2ccc(C(=O)NCCN)cc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.44
GAA P10253 6/20 0.42
SMYD3 Q9H7B4 5/20 0.42
HPGD P15428 1/20 0.41
THRB P10828 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAOB P27338 1/20 0.37
MAPK14 Q16539 1/20 0.37
EPHX2 P34913 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
SCHEMBL7073961 0.94 SMYD3 (0.47) TERTGAASMYD3HPGDTHRB
SCHEMBL7075591 0.93 SMYD3 (0.52) GAASMYD3HPGDTHRBHDAC3
SCHEMBL7076629 0.89 GAA (0.41) GAASMYD3HPGDTHRBHDAC3
SCHEMBL7076921 0.87 GAA (0.43) GAASMYD3HPGDTHRBHDAC3
SCHEMBL7071666 0.87 GAA (0.43) GAASMYD3HPGDTHRBHDAC3
SCHEMBL7073177 0.86 DGAT1 (0.41) GAASMYD3HPGDTHRBALDH1A1
SCHEMBL7073260 0.84 GAA (0.43) GAASMYD3HPGDTHRBHDAC3
SCHEMBL7078644 0.84 GAA (0.43) GAASMYD3HPGDTHRBHDAC3
SCHEMBL7078712 0.83 POLB (0.42) GAASMYD3HTTHSD17B10LMNA
SCHEMBL7076818 0.80 ALOX15 (0.43) GAAHPGDHTTHSD17B10ALDH1A1

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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 TERT 4231/4885GAA 2157/4885SMYD3 1370/4885

“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.