SCHEMBL17338607

SCHEMBL17338607

O=C(O)c1cnc2cc(OCc3ccccc3)ccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
MDH2 P40926 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MCL1 Q07820 1/20 0.51
P4HTM Q9NXG6 1/20 0.50
NMT1 P30419 6/20 0.49
NMT2 O60551 2/20 0.49
NR4A2 P43354 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
SLC16A3 O15427 1/20 0.47
P2RY14 Q15391 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL17338576 0.88 SLC16A3 (0.49) MAOBMCL1SLC16A3MEN1KMT2A
SCHEMBL30532968 0.86 NMT1 (0.65) MAOBALDH1A1HPGDSMN1; SMN2NMT1
SCHEMBL17338603 0.86 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2
SCHEMBL31668736 0.83 KDM4E (0.54) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL13771871 0.83 MCL1 (0.48) HPGDMCL1MEN1KMT2A
Hydrochloric Acid SCHEMBL2400044 0.82 CYP3A4 (0.48) MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL1041518 0.80 LMNA (0.54) ALDH1A1HPGDSMN1; SMN2MCL1
SCHEMBL311213 0.79 MEN1 (0.48) MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL17338602 0.79 MCL1 (0.45) ALDH1A1HPGDMCL1MEN1KMT2A
SCHEMBL30533025 0.78 SRD5A2 (0.48) MAOBALDH1A1SMN1; SMN2NMT1NMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087144-B2 Agents for use in the treatment of cardiovascular and inflammatory diseases structurally based on 4(1 H)-quinolone UCL BUSINESS PLC (GB) 2018-10-02 US disclosed
EP-3145914-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL Business PLC (GB) 2017-03-29 EP disclosed
US-20170066722-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2017-03-09 US disclosed
WO-2015189560-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2015-12-17 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-20170066722-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE CBR3, AGTR1, CBR1 MAOB 2625/4885ALDH1A1 3209/4885HPGD 1392/4885
US-10087144-B2 Agents for use in the treatment of cardiovascular and inflammatory diseases structurally based on 4(1 H)-quinolone AGTR1, CBR3, CBR1 MAOB 2376/4885ALDH1A1 3232/4885HPGD 1575/4885

“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.