SCHEMBL7523927

SCHEMBL7523927

O=C(O)CN1CCN(C[C@H]2CC(c3ccc(C=NN4CCOCC4)cc3)=NO2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.41
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 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
SCHEMBL7527858 1.00 MIF (0.41) MIFRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7526512 1.00 MIF (0.41) MIFRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7534752 0.97 MIF (0.39) MIFRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7522898 0.90 SMN1; SMN2 (0.45) MIFRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7528999 0.89 RAB9A (0.48) MIFRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7530201 0.89 MIF (0.37) MIFRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7530227 0.89 MIF (0.37) MIFRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7375560 0.88 MIF (0.43) MIFRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7523240 0.88 MIF (0.39) MIFRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7527013 0.88 MIF (0.38) MIFRAB9ASMN1; SMN2MAPTNPC1

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 3 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 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 3224/4885SMN1; SMN2 4508/4885

“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.