SCHEMBL5653147

SCHEMBL5653147

Brc1ccc(C2=NO[C@H](COc3ccon3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 4/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38
MIF P14174 4/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL5653143 1.00 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL5654889 0.84 MIF (0.44) ALDH1A1HPGDKDM4EMAPTMIF
SCHEMBL5654892 0.84 MIF (0.44) ALDH1A1HPGDKDM4EMAPTMIF
Hydrochloric Acid SCHEMBL5654358 0.79 ITGB3 (0.38) ALDH1A1HPGDKDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL5654363 0.79 ITGB3 (0.38) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL5657092 0.78 MIF (0.39) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL5657087 0.78 MIF (0.39) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL5655143 0.77 PDE3B (0.42) RAB9AMIFHDAC6
SCHEMBL5655145 0.77 PDE3B (0.42) RAB9AMIFHDAC6
SCHEMBL5654137 0.76 MIF (0.39) ALDH1A1HPGDKDM4EMIF

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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 US disclosed
US-7081538-B1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-07-25 US disclosed
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP 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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents CYP2S1, CYP3A7, CYP3A5 ALDH1A1 3087/4885HPGD 2189/4885KDM4E 2620/4885

“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.