SCHEMBL10200331

SCHEMBL10200331

C=Cc1cc(-c2coc3ccccc23)nc2cc3c(cc12)OCO3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 3/20 0.34
ESRRB O95718 1/20 0.34
ESR1 P03372 1/20 0.34
ESRRA P11474 1/20 0.34
ESR2 Q92731 1/20 0.34
DHODH Q02127 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL10200320 0.82 MEN1 (0.40) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL338689 0.78 HPGD (0.36) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL18359552 0.76 PDGFRB (0.34) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL340641 0.72 EDNRA (0.35) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10267983 0.71 ALDH1A1 (0.36) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3868211 0.66 CYP1A2 (0.49) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10200336 0.65 APEX1 (0.40) MAPTNPC1KDM4EALDH1A1MEN1
SCHEMBL29726793 0.64 ADORA1 (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL18359469 0.64 MEN1 (0.46) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL5149191 0.63 MAOB (0.53) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717721-B2 Use of aryl-quinolin derivatives as inhibitors of vasculogenic mimicry TAIRX, INC. (TW) 2017-08-01 US 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-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 MAPT 4540/4885NPC1 4748/4885RAB9A 3414/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 MAPT 4760/4885NPC1 874/4885RAB9A 546/4885

“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.