SCHEMBL7525924

SCHEMBL7525924

O=C(O)CN1CCC(CC2CC(c3ccc(C=NNCc4ccccc4)cc3)=NO2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
ATM Q13315 1/20 0.39
MIF P14174 4/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL7524949 0.92 ACHE (0.41) ACHEMIFMEN1LMNAKMT2A
SCHEMBL7531738 0.89 MIF (0.40) ACHEMIFITGB3ITGA2BHDAC6
SCHEMBL7525075 0.89 ATM (0.40) ACHEATMMIFPOLBMEN1
SCHEMBL7525051 0.89 ATM (0.40) ACHEATMMIFPOLBMEN1
SCHEMBL7531069 0.87 MIF (0.39) ACHEMIFITGB3ITGA2BHDAC6
SCHEMBL7378339 0.86 MIF (0.41) ACHEATMMIFMEN1LMNA
SCHEMBL7532830 0.86 MIF (0.39) ACHEMIFITGB3ITGA2BHDAC6
SCHEMBL7525564 0.84 MIF (0.42) MIFITGB3ITGA2BHDAC6
SCHEMBL7529256 0.82 MIF (0.38) ATMMIFPOLBL3MBTL1ITGB3
SCHEMBL7523240 0.82 MIF (0.39) MIFPOLBTDP1ITGB3ITGA2B

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 5 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 claimed
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 ACHE 3785/4885ATM 3203/4885MIF 1918/4885

“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.