SCHEMBL7529302

SCHEMBL7529302

NN=Cc1ccc(C2=NOC(CN3CCCN(CC(=O)O)CC3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 11/20 0.42
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
HDAC6 Q9UBN7 1/20 0.38
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ITGB2 P05107 1/20 0.36
ITGAM P11215 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
SCHEMBL7536624 0.97 MIF (0.45) MIFITGB3ITGA2BHDAC6CA12
SCHEMBL7534752 0.88 MIF (0.39) MIFITGB3ITGA2BHDAC6NPC1
SCHEMBL7526233 0.85 MIF (0.40) MIFITGB3ITGA2BHDAC6CA12
SCHEMBL7525335 0.85 MIF (0.40) MIFITGB3ITGA2BHDAC6CA12
SCHEMBL7526512 0.85 MIF (0.41) MIFHDAC6NPC1ALDH1A1RAB9A
SCHEMBL7523927 0.85 MIF (0.41) MIFHDAC6NPC1ALDH1A1RAB9A
SCHEMBL7527858 0.85 MIF (0.41) MIFHDAC6NPC1ALDH1A1RAB9A
SCHEMBL7525564 0.84 MIF (0.42) MIFITGB3ITGA2BHDAC6ITGB2
SCHEMBL7375254 0.84 MIF (0.47) MIFITGB3ITGA2BHDAC6ITGB2
SCHEMBL7525619 0.84 MIF (0.37) MIFITGB3ITGA2BHDAC6NPC1

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-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 US claimed
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
US-6303609-B1 USED FOR THE INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-10-16 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 1918/4885ITGB3 74/4885ITGA2B 41/4885

“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.