SCHEMBL340264

SCHEMBL340264

O=C1CC(c2ccc(OCc3ccccc3)cc2)=Nc2ccc(N3CCCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.45
MCHR1 Q99705 3/20 0.43
KCNH2 Q12809 2/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
ALK Q9UM73 1/20 0.41
PRKDC P78527 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
POLB P06746 1/20 0.41
LTA4H P09960 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
EGFR P00533 1/20 0.40
PRMT5 O14744 1/20 0.39
HTT P42858 1/20 0.39
MAP4K1 Q92918 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
SCHEMBL340813 0.91 PRKDC (0.52) GSTP1MCHR1ALKPRKDCEGFR
SCHEMBL339561 0.90 PRKDC (0.43) MCHR1KCNH2MAOAMAOBPRKDC
SCHEMBL341007 0.85 MAPT (0.51) PDE3BPDE3APOLBPRMT5
SCHEMBL339659 0.84 LRRK2 (0.43) PRKDCHTT
SCHEMBL340650 0.83 HTT (0.43) PRKDCHTT
SCHEMBL340708 0.82 PRKDC (0.54) MCHR1PRKDC
SCHEMBL340110 0.81 KIF11 (0.43) ALKPDE3BPDE3A
SCHEMBL339925 0.79 GSTP1 (0.47) GSTP1MAOAMAOBPOLBEGFR
SCHEMBL341204 0.77 MAPT (0.45) PRKDCMAP4K1
SCHEMBL340004 0.76 KIF11 (0.43) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 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 (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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 GSTP1 1624/4885MCHR1 2424/4885KCNH2 237/4885

“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.