SCHEMBL3986972

SCHEMBL3986972

O=c1[nH]c(Cc2ccccc2)ccc1-c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
MET P08581 1/20 0.44
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
S1PR5 Q9H228 1/20 0.42
SLK Q9H2G2 2/20 0.41
STK10 O94804 1/20 0.40
PRMT5 O14744 1/20 0.40
FFAR1 O14842 2/20 0.39
FEN1 P39748 2/20 0.39
PPARD Q03181 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
LMNA P02545 1/20 0.39
GSTP1 P09211 1/20 0.39
CTSA P10619 1/20 0.39
DAO P14920 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL2285730 0.82 MET (0.62) ERN1METCTSVCTSLS1PR5
SCHEMBL3987724 0.81 MGLL (0.41) LMNADAO
SCHEMBL3988950 0.77 ERN1 (0.47) ERN1METCTSVCTSLS1PR5
SCHEMBL12794344 0.77 MET (0.66) MET
SCHEMBL3923729 0.76 MET (0.77) MET
SCHEMBL3923741 0.74 IDO1 (0.49) ERN1METS1PR5SLKSTK10
SCHEMBL3988884 0.74 ERN1 (0.45) ERN1METS1PR5SLKSTK10
SCHEMBL8616532 0.73 KDM1A (0.46) ERN1S1PR5FEN1
SCHEMBL8617807 0.73 KDM1A (0.46) ERN1S1PR5FEN1
SCHEMBL8619306 0.72 ERN1 (0.47) ERN1S1PR5FFAR1FEN1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 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 (1 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 ERN1 2751/4885MET 563/4885CTSV 2098/4885

“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.