SCHEMBL7448290

SCHEMBL7448290

O=C(O)CN1CCC(=CC2CC(c3ccc(C=NN4CCOCC4)cc3)=NO2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
POLB P06746 3/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 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
SCHEMBL7451444 0.88 MIF (0.35) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL7525438 0.87 PDE4D (0.32) MIF
SCHEMBL7523927 0.83 MIF (0.41) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7527858 0.83 MIF (0.41) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7526512 0.83 MIF (0.41) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7529801 0.81 ITGB3 (0.38) ALDH1A1RAB9ACYP1A2MAOAMIF
SCHEMBL7534752 0.80 MIF (0.39) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7523240 0.80 MIF (0.39) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7447075 0.80 MIF (0.34) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL7504883 0.79 MIF (0.38) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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 9 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
EP-1131306-A2 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 EP claimed
WO-2000029406-A2 NOVEL ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 WO 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
EP-1131306-A2 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 EP disclosed
WO-2000029406-A2 NOVEL ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 WO 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 ALDH1A1 702/4885SMN1; SMN2 4508/4885MAPT 4789/4885

“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.