SCHEMBL340528

SCHEMBL340528

COc1cc2c(=O)cc(-c3ccc(F)cc3)[nH]c2cc1O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
KDM4E B2RXH2 9/20 0.62
HPGD P15428 9/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 2/20 0.62
AHR P35869 1/20 0.60
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP1B1 Q16678 1/20 0.57
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
IMPDH2 P12268 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TNKS O95271 1/20 0.51
LMNA P02545 3/20 0.49

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
SCHEMBL18084362 0.87 HPGD (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL339237 0.86 ALDH1A1 (0.82) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL339652 0.80 NPC1 (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL31439158 0.77 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL341241 0.77 CTSV (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL339610 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL31552893 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL30462937 0.75 HPGD (0.76) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL31552890 0.73 KDM4E (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL311852 0.73 KDM4E (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US 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
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 (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 ALDH1A1 1091/4885KDM4E 1014/4885HPGD 303/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 ALDH1A1 1258/4885KDM4E 4748/4885HPGD 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.