SCHEMBL339270

SCHEMBL339270

COc1ccccc1C1=Nc2ccc(N3CCCC3)cc2C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTR7 P34969 1/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOD2 Q9HC29 1/20 0.40
CES2 O00748 3/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 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
SCHEMBL339151 0.90 MAPT (0.50) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL339253 0.90 L3MBTL1 (0.45) S1PR1ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL340546 0.87 MAPT (0.42) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL338129 0.86 CES2 (0.42) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL339659 0.85 LRRK2 (0.43) ALDH1A1MAPTKDM4EL3MBTL1HTT
SCHEMBL340349 0.82 NPSR1 (0.42) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL339317 0.81 MAPT (0.44) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL339157 0.81 CES2 (0.50) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL340650 0.81 HTT (0.43) ALDH1A1MAPTKDM4EL3MBTL1HSD17B10
SCHEMBL341007 0.79 MAPT (0.51) ALDH1A1HPGDMAPTKDM4EL3MBTL1

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 S1PR1 2830/4885ALDH1A1 1258/4885HPGD 1841/4885

“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.