SCHEMBL7076629

SCHEMBL7076629

COC(=O)CC1Cc2ccc(C(=O)NCCNC(=N)N)cc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
HPGD P15428 1/20 0.39
THRB P10828 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMYD3 Q9H7B4 5/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPK14 Q16539 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL7071666 0.96 GAA (0.43) GAAHPGDTHRBMEN1KMT2A
SCHEMBL7076921 0.96 GAA (0.43) GAAHPGDTHRBMEN1KMT2A
SCHEMBL7076807 0.89 TERT (0.44) GAAHPGDTHRBALDH1A1SMYD3
Hydrochloric Acid SCHEMBL7071254 0.88 ITGB3 (0.40) GAATHRBSMYD3HDAC3HDAC1
SCHEMBL7073961 0.87 SMYD3 (0.47) GAAHPGDTHRBMEN1KMT2A
SCHEMBL7075591 0.86 SMYD3 (0.52) GAAHPGDTHRBMEN1KMT2A
SCHEMBL7073177 0.85 DGAT1 (0.41) GAAHPGDTHRBMEN1KMT2A
SCHEMBL7075827 0.84 DRD2 (0.37) GAAITGB3ITGA2B
Hydrochloric Acid SCHEMBL7076205 0.84 SMYD3 (0.40) GAATHRBMEN1KMT2ASMYD3
Hydrochloric Acid SCHEMBL7075240 0.84 SMYD3 (0.42) GAATHRBMEN1KMT2ASMYD3

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 GAA 2157/4885HPGD 4097/4885THRB 137/4885

“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.