SCHEMBL338692

SCHEMBL338692

O=C1CC(c2cccc3ccccc23)=Nc2cc3c(cc21)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.36
CDK2 P24941 1/20 0.36
ALOX5 P09917 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
TSHR P16473 2/20 0.36
GSK3B P49841 2/20 0.35
ADK P55263 1/20 0.35
SCN9A Q15858 1/20 0.35
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL339137 0.90 ALOX5 (0.35) KDM4EGAAALDH1A1CDK2ALOX5
SCHEMBL339694 0.83 ACVR1 (0.37) RAB9AMAPTHPGDTP53SMN1; SMN2
SCHEMBL340954 0.83 AURKA (0.39) RAB9AMAPTTP53SMN1; SMN2TNKS
SCHEMBL18280773 0.82 NPC1 (0.43) ALDH1A1PKMTSHRPTPRC
SCHEMBL340140 0.81 NFKB1 (0.36) KDM4EALDH1A1RAB9AMAPTHPGD
SCHEMBL340238 0.81 MAOB (0.36) CYP2C9CA1CA2CA4CA6
SCHEMBL339155 0.80 GSTP1 (0.39) KDM4EALDH1A1ALOX5RAB9AMAPT
SCHEMBL340826 0.78 MAPT (0.38) KDM4EALDH1A1RAB9AMAPTHPGD
SCHEMBL341068 0.78 PDE3B (0.39) KDM4EALDH1A1RAB9AMAPTPKM
SCHEMBL340294 0.78 MAPT (0.51) KDM4EGAAALDH1A1RAB9AMAPT

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 9 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
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
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 KDM4E 4748/4885ALPL 4694/4885GAA 2394/4885

“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.