Sugi Predict

Sugi Predict / Compounds / SCHEMBL7530227

SCHEMBL7530227

SCHEMBL7530227

O=C(O)CN1CCN(CC2CC(c3ccc(C=NN4CCOCC4)cc3)=NO2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 10/20 0.37
▸ RAB9A P51151 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7530201 1.00 MIF (0.37) MIFRAB9AALDH1A1MAPTNPC1
SCHEMBL7525335 0.89 MIF (0.40) MIFRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL7526512 0.89 MIF (0.41) MIFRAB9AALDH1A1MAPTNPC1
SCHEMBL7527858 0.89 MIF (0.41) MIFRAB9AALDH1A1MAPTNPC1
SCHEMBL7523927 0.89 MIF (0.41) MIFRAB9AALDH1A1MAPTNPC1
SCHEMBL7527566 0.88 MIF (0.35) MIFRAB9ANPC1HDAC6
SCHEMBL7527551 0.88 MIF (0.35) MIFRAB9ANPC1HDAC6
SCHEMBL7534752 0.86 MIF (0.39) MIFRAB9AALDH1A1MAPTNPC1
SCHEMBL7527013 0.82 MIF (0.38) MIFRAB9AALDH1A1MAPTNPC1
SCHEMBL7527034 0.82 MIF (0.38) MIFRAB9AALDH1A1MAPTNPC1

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-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 — — US claimed
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 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 1918/4885RAB9A 3224/4885ALDH1A1 702/4885

“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.