SCHEMBL340804

SCHEMBL340804

O=c1cc(-c2ccc(F)cc2)[nH]c2ccc(O)c(O)c12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GSK3B P49841 1/20 0.42
THRB P10828 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL311542 0.88 KMT2A (0.42) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL340806 0.85 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL339610 0.82 ALDH1A1 (0.53) CTSVCTSLSMN1; SMN2ALDH1A1KDM4E
SCHEMBL339993 0.77 NPC1 (0.48) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL1848418 0.77 CTSV (0.52) CTSVCTSLERCC1ERCC4SMN1; SMN2
Bromide SCHEMBL1976213 0.75 CTSV (0.51) CTSVCTSLERCC1ERCC4SMN1; SMN2
SCHEMBL313992 0.73 SMN1; SMN2 (0.43) CTSVCTSLSMN1; SMN2ALDH1A1KDM4E
SCHEMBL339991 0.72 ALDH1A1 (0.54) CTSVCTSLSMN1; SMN2ALDH1A1KDM4E
SCHEMBL312265 0.72 SMN1; SMN2 (0.74) CTSVCTSLSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9872630 0.71 CTSV (0.57) CTSVCTSLSMN1; SMN2ALDH1A1KDM4E

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 15 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
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 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 CTSV 1066/4885CTSL 1738/4885ERCC1 4517/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 CTSV 1122/4885CTSL 1365/4885ERCC1 3100/4885

“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.