SCHEMBL339925

SCHEMBL339925

CN(C)c1ccc2c(c1)C(=O)CC(c1ccc(OCc3ccccc3)cc1)=N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.47
PIM1 P11309 1/20 0.46
NOX1 Q9Y5S8 1/20 0.45
MAOB P27338 4/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 3/20 0.40
CNR1 P21554 1/20 0.40
XDH P47989 1/20 0.39
MAOA P21397 3/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL339146 0.90 APP (0.42) GSTP1PIM1NOX1MAOBAPP
SCHEMBL339090 0.81 ESR1 (0.39) MAOBSMN1; SMN2RAB9AAPPMAOA
SCHEMBL340264 0.79 GSTP1 (0.45) GSTP1MAOBPOLBMAOAEGFR
SCHEMBL340813 0.77 PRKDC (0.52) GSTP1NPC1SMN1; SMN2MEN1RAB9A
SCHEMBL340495 0.72 NPSR1 (0.46) MAOBNPC1SMN1; SMN2MEN1RAB9A
SCHEMBL341242 0.69 TP53 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL339561 0.69 PRKDC (0.43) MAOBKMT2ACNR1MAOAALOX5
SCHEMBL9385776 0.69 TP53 (0.45) MAOBNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL9175477 0.68 ALDH1A1 (0.37) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL339924 0.67 CTSV (0.56) GSTP1NPC1SMN1; SMN2MEN1RAB9A

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 1624/4885PIM1 3975/4885NOX1 353/4885

“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.