SCHEMBL340641

SCHEMBL340641

O=P(OCc1ccccc1)(OCc1ccccc1)Oc1cc(-c2coc3ccccc23)nc2cc3c(cc12)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.35
ALDH1A1 P00352 8/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 4/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 5/20 0.34
MAPK1 P28482 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL10200098 0.86 ALDH1A1 (0.37) EDNRAALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL10267983 0.86 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL338689 0.85 HPGD (0.36) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL13232463 0.84 NPC1 (0.36) EDNRAALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL18359552 0.82 PDGFRB (0.34) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL13232467 0.79 MAPT (0.40) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL13232475 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EGAAHPGD
SCHEMBL339857 0.77 KDM4E (0.39) EDNRAALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL18294654 0.77 KDM4E (0.40) EDNRAALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL10200119 0.75 KDM4E (0.38) EDNRAALDH1A1SMN1; SMN2KDM4EGAA

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
US-20160354361-A1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC. (TW) 2016-12-08 US disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US 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
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 (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 EDNRA 54/4885ALDH1A1 1091/4885SMN1; SMN2 4862/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 EDNRA 3826/4885ALDH1A1 1258/4885SMN1; SMN2 3441/4885

“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.