SCHEMBL7527018

SCHEMBL7527018

O=C(O)COC1(CC2CC(c3ccc(C=NNCc4ccccc4)cc3)=NO2)CCN(CC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
MIF P14174 8/20 0.37
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL7528808 0.93 ATM (0.38) ATMMIFHDAC6ITGB3ITGA2B
SCHEMBL7528864 0.90 MIF (0.40) MIFHDAC6
SCHEMBL7531519 0.89 MIF (0.39) MIFHDAC6
SCHEMBL7525944 0.87 MIF (0.39) MIFHDAC6ITGB3ITGA2B
SCHEMBL7527825 0.87 MIF (0.38) ATMMIFHDAC6ITGB3ITGA2B
SCHEMBL7524741 0.86 MIF (0.40) MIFHDAC6ITGB3ITGA2B
SCHEMBL7526204 0.85 MIF (0.41) ATMMIFHDAC6TDP1L3MBTL1
SCHEMBL7525075 0.84 ATM (0.40) ATMMIFHDAC6MEN1LMNA
SCHEMBL7525051 0.84 ATM (0.40) ATMMIFHDAC6MEN1LMNA
SCHEMBL7525337 0.84 MIF (0.38) 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 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 ATM 3203/4885MIF 1918/4885HDAC6 2310/4885

“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.