SCHEMBL1648573

SCHEMBL1648573

Cc1nocc1NC(=O)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.42
BRD4 O60885 1/20 0.41
HSD17B10 Q99714 1/20 0.40
BCL3 P20749 1/20 0.40
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CG P48736 1/20 0.39
NTRK1 P04629 1/20 0.39
KMT2A Q03164 2/20 0.39
GABRA5 P31644 2/20 0.38
LRRK2 Q5S007 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 1/20 0.38
EPHX2 P34913 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
SCHEMBL10323492 0.90 HSD17B10 (0.47) RAB9ANPC1LMNAHSD17B10KMT2A
SCHEMBL1648745 0.84 NPC1 (0.46) RAB9ANPC1LMNAHSD17B10BCL3
SCHEMBL164222 0.81 MAPK14 (0.44) RAB9ANPC1LMNABCL3HTR2A
SCHEMBL1647814 0.81 NPC1 (0.51) RAB9ANPC1LMNABRD4HSD17B10
SCHEMBL167703 0.78 GSK3B (0.42) BCL3HTR2AKCNH2KMT2ALRRK2
SCHEMBL6918135 0.73 MAPT (0.49) RAB9ANPC1LMNAHSD17B10KMT2A
SCHEMBL168274 0.72 CCR5 (0.40) RAB9ANPC1LMNABCL3KMT2A
SCHEMBL1647863 0.70 LRRK2 (0.53) HTR2AKCNH2NTRK1LRRK2SMN1; SMN2
SCHEMBL1646758 0.70 HSD17B10 (0.57) RAB9ANPC1LMNAHSD17B10KMT2A
SCHEMBL10322421 0.69 LRRK2 (0.65) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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 (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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 RAB9A 187/4885NPC1 792/4885LMNA 2250/4885

“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.