SCHEMBL340004

SCHEMBL340004

O=C1CC(c2cccc(O)c2)=Nc2ccc(N3CCCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.43
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
FYN P06241 1/20 0.36
AGXT P21549 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.35
TNNI3 P19429 1/20 0.35
HTT P42858 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL340508 0.90 FYN (0.48) KIF11ALDH1A1MAPTFYNNPC1
SCHEMBL340110 0.87 KIF11 (0.43) KIF11MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL340349 0.81 NPSR1 (0.42) KIF11MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL339157 0.79 CES2 (0.50) MEN1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL338129 0.78 CES2 (0.42) KIF11MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL340650 0.77 HTT (0.43) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL341305 0.77 KIF11 (0.46) KIF11MAPTFYN
SCHEMBL340264 0.76 GSTP1 (0.45) HTT
SCHEMBL339977 0.76 BCHE (0.47) ALDH1A1MAPTCHRNB4CHRNA3
SCHEMBL9385776 0.74 TP53 (0.45) ALDH1A1KMT2AMAPTNPC1RAB9A

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 14 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 claimed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US claimed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP claimed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US claimed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO claimed
EP-3302488-B1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC (TW) 2020-09-30 EP disclosed
US-9717721-B2 Use of aryl-quinolin derivatives as inhibitors of vasculogenic mimicry TAIRX, INC. (TW) 2017-08-01 US disclosed
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
US-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC. (TW) 2016-12-08 US 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
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 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 (2 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-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TEK, FLT1, VHL KIF11 4797/4885MEN1 754/4885ALDH1A1 1091/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 KIF11 2566/4885MEN1 2493/4885ALDH1A1 1258/4885

“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.