SCHEMBL5653027

SCHEMBL5653027

OC[C@@H](O)CN1CC=C(c2ccc(C3=NO[C@H](COc4ccon4)C3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 15/20 0.38
CCNT1 O60563 14/20 0.38
CYP2D6 P10635 1/20 0.36
THPO P40225 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
CDK8 P49336 1/20 0.36
CDK6 Q00534 1/20 0.36
LMNA P02545 2/20 0.35
PMP22 Q01453 1/20 0.35
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
MIF P14174 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
SCHEMBL5653033 1.00 CDK9 (0.38) CDK9CCNT1CYP2D6THPOCDK1
SCHEMBL5653021 0.75 ITGB3 (0.34) LMNANPC1USP2ALDH1A1ESR1
Hydrochloric Acid SCHEMBL5654358 0.74 ITGB3 (0.38) LMNANPC1USP2ALDH1A1ESR1
Hydrochloric Acid SCHEMBL5654363 0.74 ITGB3 (0.38) LMNANPC1USP2ALDH1A1ESR1
SCHEMBL5653147 0.73 ALDH1A1 (0.49) LMNANPC1USP2ALDH1A1ESR1
SCHEMBL5653143 0.73 ALDH1A1 (0.49) LMNANPC1USP2ALDH1A1ESR1
SCHEMBL5654892 0.69 MIF (0.44) ALDH1A1MIF
SCHEMBL5654889 0.69 MIF (0.44) ALDH1A1MIF
SCHEMBL5655159 0.68 MIF (0.40) LMNANPC1USP2ALDH1A1ESR1
SCHEMBL5655172 0.68 MIF (0.40) LMNANPC1USP2ALDH1A1ESR1

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
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP claimed
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 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 CDK9 2950/4885CCNT1 685/4885CYP2D6 33/4885

“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.