SCHEMBL17338593

SCHEMBL17338593

CCOC(=O)c1cn(Cc2ccccc2F)c2ccccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
NOD2 Q9HC29 1/20 0.63
TP53 P04637 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 1/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.50
GNRHR P30968 1/20 0.49

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
SCHEMBL11895061 0.87 KMT2A (0.50) NPC1RAB9ANOD2TP53RXFP1
SCHEMBL17338580 0.86 MAPT (0.57) TP53MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL2930311 0.85 NPC1 (0.56) NPC1RAB9ANOD2TP53RXFP1
SCHEMBL15956289 0.83 LMNA (0.70) TP53ALDH1A1LMNAP2RX3
SCHEMBL17338644 0.83 LMNA (0.69) NPC1RAB9ANOD2TP53RXFP1
SCHEMBL7056985 0.83 LMNA (0.69) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL1549166 0.81 MAPT (0.76) NPC1RAB9ANOD2TP53RXFP1
SCHEMBL17338605 0.81 P2RX3 (0.57) TP53TDP1LMNAP2RX3
SCHEMBL23914948 0.80 KMT2A (0.60) TP53KMT2ATDP1ALDH1A1CYP1A2
SCHEMBL11895496 0.80 P2RX3 (0.62) TP53LMNAP2RX3

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 7 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
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
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
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 NPC1 1032/4885RAB9A 1141/4885NOD2 264/4885
US-10087144-B2 Agents for use in the treatment of cardiovascular and inflammatory diseases structurally based on 4(1 H)-quinolone AGTR1, CBR3, CBR1 NPC1 984/4885RAB9A 1231/4885NOD2 272/4885

“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.