SCHEMBL340826

SCHEMBL340826

O=C1CC(c2cc3ccccc3o2)=Nc2cc3c(cc21)OCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
HPGD P15428 6/20 0.38
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TNKS O95271 1/20 0.38
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
LMNA P02545 2/20 0.36
MCL1 Q07820 1/20 0.36
DPP4 P27487 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CDC25C P30307 1/20 0.35
DUSP3 P51452 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
SCHEMBL339155 0.78 GSTP1 (0.39) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL341068 0.76 PDE3B (0.39) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL340140 0.76 NFKB1 (0.36) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL339137 0.76 ALOX5 (0.35) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL340294 0.76 MAPT (0.51) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL18280773 0.75 NPC1 (0.43) ALDH1A1NPC1PTPRCMAOB
SCHEMBL340183 0.74 TDP2 (0.40) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL340954 0.71 AURKA (0.39) MAPTNPC1RAB9ASMN1; SMN2TNKS
SCHEMBL340238 0.71 MAOB (0.36) MAOAMAOB
SCHEMBL1021869 0.71 DPP4 (0.46) MAPTHPGDALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 MAPT 4760/4885HPGD 1841/4885ALDH1A1 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.