SCHEMBL7075591

SCHEMBL7075591

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 6/20 0.52
GAA P10253 4/20 0.45
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 1/20 0.39
PARP1 P09874 1/20 0.38
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
POLB P06746 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 0.97 SMYD3 (0.47) SMYD3GAAHDAC3HDAC1GRIN1
SCHEMBL7076807 0.93 TERT (0.44) SMYD3GAAHDAC3HDAC1THRB
SCHEMBL7076921 0.90 GAA (0.43) SMYD3GAAHDAC3HDAC1THRB
SCHEMBL7071666 0.89 GAA (0.43) SMYD3GAAHDAC3HDAC1THRB
SCHEMBL7073260 0.88 GAA (0.43) SMYD3GAAHDAC3HDAC1THRB
SCHEMBL7076629 0.86 GAA (0.41) SMYD3GAAHDAC3HDAC1THRB
SCHEMBL7078644 0.86 GAA (0.43) SMYD3GAAHDAC3HDAC1THRB
SCHEMBL7073177 0.83 DGAT1 (0.41) SMYD3GAATHRBHPGDMEN1
SCHEMBL7071389 0.82 HSD17B10 (0.38) SMYD3GAAHPGDMEN1KMT2A
SCHEMBL7078712 0.81 POLB (0.42) SMYD3GAAMEN1KMT2APOLB

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 4 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
EP-1198231-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE(ALPHA)V(BETA)3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-24 EP disclosed
WO-2001007036-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE αvβ3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-01 WO 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 SMYD3 1370/4885GAA 2157/4885HDAC3 294/4885

“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.