SCHEMBL1756779

SCHEMBL1756779

O=C(OCc1ccccc1)n1[c]ccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
HTR2C P28335 1/20 0.48
P2RX4 Q99571 2/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTRB1 P17538 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL6069998 0.75 KMT2A (0.48) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL8984780 0.75 P2RX4 (0.49) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.75 MEN1 (0.71) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL7424105 0.75 MEN1 (0.71) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL5109854 0.75 MEN1 (0.71) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.74 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL1170984 0.74 ALDH1A1 (0.55) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.74 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.74 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.74 MEN1 (0.76) KMT2AMEN1NPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973163-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-07-05 US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 US disclosed
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US 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 (4 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 KMT2A 352/4885MEN1 1487/4885NPSR1 16/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 KMT2A 352/4885MEN1 1487/4885NPSR1 16/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 KMT2A 347/4885MEN1 1457/4885NPSR1 16/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 KMT2A 319/4885MEN1 1463/4885NPSR1 16/4885

“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.