SCHEMBL11938546

SCHEMBL11938546

COc1cc2c(cc1OC)[C@@H]1C(=O)c3c([N+](=O)[O-])cc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.75
▸ SMN1; SMN2 Q16637 8/20 0.75
▸ MAPT P10636 8/20 0.75
▸ TDP1 Q9NUW8 5/20 0.75
▸ KDM4E B2RXH2 5/20 0.75
▸ ALDH1A1 P00352 5/20 0.75
▸ USP2 O75604 4/20 0.75
▸ MAPK1 P28482 4/20 0.75
▸ TP53 P04637 4/20 0.68
▸ CYP2C19 P33261 4/20 0.68
▸ TSHR P16473 3/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ HSP90AA1 P07900 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ HPGD P15428 2/20 0.46
▸ ODC1 P11926 1/20 0.46
▸ LMNA P02545 4/20 0.44
▸ GALR3 O60755 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44

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
SCHEMBL11938548 1.00 CYP3A4 (0.75) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL13557430 0.91 CYP3A4 (0.66) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL13557428 0.91 CYP3A4 (0.66) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL11938549 0.86 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL11938491 0.86 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
Toxicarol SCHEMBL25199717 0.86 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
Toxicarol SCHEMBL4742046 0.86 CYP3A4 (1.00) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL14273346 0.86 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL19185964 0.86 CYP3A4 (0.80) CYP3A4SMN1; SMN2MAPTTDP1KDM4E
SCHEMBL11938552 0.85 CYP3A4 (0.69) CYP3A4SMN1; SMN2MAPTTDP1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718786-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2017-08-01 — — US disclosed
US-20160130235-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2016-05-12 — — US disclosed
US-9161997-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. 2015-10-20 — — US disclosed
US-8226929-B2 Administering to a patient a contrast agent (pyridimifen, fenazaquin) which comprises a compound that binds MC-1, and an imaging moiety, and scanning the patient using diagnostic imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-07-24 — — US disclosed
US-20080112884-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2008-05-15 — — US disclosed
US-7344702-B2 Contrast agents for myocardial perfusion imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-18 — — 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 (2 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-20080112884-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885SMN1; SMN2 2969/4885MAPT 4043/4885
US-20160130235-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP3A4 3831/4885SMN1; SMN2 2969/4885MAPT 4043/4885

“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.

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