SCHEMBL1648745

SCHEMBL1648745

O=C(Nc1cccnc1F)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCL3 P20749 1/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NTRK1 P04629 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
LRRK2 Q5S007 2/20 0.39
BDKRB1 P46663 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
GPR6 P46095 2/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL6918135 0.89 MAPT (0.49) NPC1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL1648573 0.84 RAB9A (0.47) NPC1RAB9ABCL3KMT2ALMNA
SCHEMBL1647814 0.81 NPC1 (0.51) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL10322421 0.75 LRRK2 (0.65) LRRK2
SCHEMBL10323492 0.73 HSD17B10 (0.47) NPC1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL6918440 0.71 LRRK2 (0.66) HSD17B10LRRK2CYP3A4SLCO1B1
SCHEMBL1647477 0.69 HSD17B10 (0.60) NPC1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL1646758 0.69 HSD17B10 (0.57) NPC1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL15332512 0.68 MAPT (0.56) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL168577 0.68 LRRK2 (0.53) KMT2ALRRK2

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 NPC1 792/4885RAB9A 187/4885BCL3 3623/4885

“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.