SCHEMBL7528867

SCHEMBL7528867

O=C(O)CN1CCN(CC2CC(c3ccc(C=NNCC4CC4)cc3)=NO2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 0.40
HDAC6 Q9UBN7 1/20 0.37
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
RCE1 Q9Y256 1/20 0.36

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
SCHEMBL7532577 0.87 MIF (0.40) MIFHDAC6ITGB3ITGA2B
SCHEMBL7528722 0.86 MIF (0.41) MIFHDAC6ITGB3ITGA2B
SCHEMBL7525075 0.86 ATM (0.40) MIFHDAC6
SCHEMBL7525051 0.86 ATM (0.40) MIFHDAC6
SCHEMBL7528235 0.86 MIF (0.41) MIFHDAC6ITGB3ITGA2B
SCHEMBL7529256 0.85 MIF (0.38) MIFHDAC6ITGB3ITGA2B
SCHEMBL7531875 0.85 MIF (0.38) MIFHDAC6
SCHEMBL7531887 0.85 MIF (0.38) MIFHDAC6
SCHEMBL7533142 0.85 MIF (0.38) MIFHDAC6ITGB3ITGA2B
SCHEMBL7536624 0.84 MIF (0.45) MIFHDAC6ITGB3ITGA2B

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-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US disclosed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 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-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB MIF 1918/4885HDAC6 2310/4885ITGB3 74/4885

“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.