SCHEMBL339652

SCHEMBL339652

COc1cc2c(=O)cc(-c3ccccc3F)[nH]c2cc1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
MTOR P42345 1/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
AHR P35869 1/20 0.52
IMPDH2 P12268 3/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IMPDH1 P20839 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44

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 0.82 HPGD (0.61) NPC1KDM4EALDH1A1HPGDAHR
SCHEMBL340528 0.80 ALDH1A1 (0.62) NPC1KDM4EALDH1A1HPGDAHR
SCHEMBL340615 0.80 CTSV (0.65) NPC1MTORKDM4EALDH1A1HPGD
SCHEMBL339237 0.80 ALDH1A1 (0.82) KDM4EALDH1A1HPGDAHRIMPDH2
SCHEMBL340236 0.78 CYP1A1 (0.45) NPC1MTORKDM4EALDH1A1HPGD
SCHEMBL29411907 0.74 CTSV (0.62) NPC1MTORKDM4EALDH1A1HPGD
SCHEMBL339070 0.74 CTSV (0.62) NPC1MTORKDM4EALDH1A1HPGD
SCHEMBL340793 0.74 NPC1 (0.44) NPC1MTORKDM4EALDH1A1HPGD
SCHEMBL2799492 0.74 HPGD (0.73) NPC1MTORKDM4EALDH1A1HPGD
SCHEMBL6294903 0.73 ALDH1A1 (0.68) NPC1MTORKDM4EALDH1A1HPGD

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 14 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
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
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 NPC1 4748/4885MTOR 2397/4885KDM4E 1014/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 NPC1 874/4885MTOR 2666/4885KDM4E 4748/4885

“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.