SCHEMBL5994929

SCHEMBL5994929

OCC1CC(c2ccc(F)cc2)=NO1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
APAF1 O14727 1/20 0.56
GRK2 P25098 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
CASP1 P29466 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MIF P14174 2/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL5994924 1.00 POLB (0.56) POLBAPAF1GRK2APOBEC3GRAB9A
SCHEMBL28564102 0.85 NPC1 (0.65) RAB9ANPC1SMN1; SMN2MIFCYP2C19
SCHEMBL3326724 0.83 LMNA (0.53) RAB9ANPC1SMN1; SMN2MIF
SCHEMBL6853296 0.83 POLB (0.53) POLBAPAF1GRK2APOBEC3GRAB9A
SCHEMBL6021765 0.83 POLB (0.56) POLBAPAF1GRK2APOBEC3GRAB9A
SCHEMBL5997363 0.83 APAF1 (0.53) POLBAPAF1GRK2APOBEC3GRAB9A
SCHEMBL4951608 0.83 LMNA (0.53) RAB9ANPC1SMN1; SMN2MIF
SCHEMBL14183637 0.83 MIF (0.54) POLBRAB9ANPC1MIFCYP2C19
SCHEMBL3326726 0.83 LMNA (0.53) RAB9ANPC1SMN1; SMN2MIF
SCHEMBL14183734 0.83 MIF (0.44) RAB9ANPC1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998390-B2 Oxolide antibacterials ABBVIE INC. 2006-02-14 US claimed
EP-1579864-A1 Oxolide antibacterials ABBOTT LABORATORIES (US) 2005-09-28 EP claimed
US-20040014688-A1 Oxolide antibacterials ABBVIE INC. 2004-01-22 US claimed
EP-1251128-B1 Cyclohexylamine derivatives as subtype selective N-methyl-D-aspartate antagonists WARNER LAMBERT CO (US) 2006-12-06 EP disclosed
US-7026321-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-04-11 US disclosed
US-6998390-B2 Oxolide antibacterials ABBVIE INC. 2006-02-14 US disclosed
EP-1583751-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. (US) 2005-10-12 EP disclosed
EP-1579864-A1 Oxolide antibacterials ABBOTT LABORATORIES (US) 2005-09-28 EP disclosed
EP-1499326-A1 OXOLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-01-26 EP disclosed
US-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction CV THERAPEUTICS, INC. 2004-09-23 US disclosed
WO-2004069818-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS INC. (US) 2004-08-19 WO disclosed
US-20040014688-A1 Oxolide antibacterials ABBVIE INC. 2004-01-22 US disclosed
WO-2003090760-A1 OXOLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 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 (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-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction KCNJ2, PPARA, PPARD POLB 2183/4885APAF1 3873/4885GRK2 841/4885
US-20040014688-A1 Oxolide antibacterials OGFOD1, PGLS, OXER1 POLB 220/4885APAF1 1109/4885GRK2 4695/4885

“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.