SCHEMBL5000164

SCHEMBL5000164

O=C(c1c(O)c(-c2ccccc2)nc2ccccc12)n1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.60
PDE10A Q9Y233 3/20 0.60
TACR3 P29371 4/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
TACR2 P21452 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
TACR1 P25103 1/20 0.46
OPRM1 P35372 1/20 0.46
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3536795 0.84 DHODH (0.42) DHODHPDE10ALMNATSHRCYP2D6
Oxycinchophen SCHEMBL31654029 0.76 DHODH (1.00) DHODHPDE10ATACR3LMNATSHR
Oxycinchophen SCHEMBL1170683 0.76 DHODH (1.00) DHODHPDE10ATACR3LMNATSHR
Oxycinchophen SCHEMBL29460357 0.76 DHODH (1.00) DHODHPDE10ATACR3LMNATSHR
SCHEMBL19328453 0.75 DHODH (0.62) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL19328541 0.75 PTGFR (0.56) CYP3A4
SCHEMBL19328543 0.75 PTGFR (0.51) DHODHMAPT
SCHEMBL9501979 0.74 DHODH (1.00) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL13971502 0.74 DHODH (0.77) DHODHPDE10ATACR3LMNATSHR
SCHEMBL4601632 0.74 DHODH (0.77) DHODHPDE10ATACR3LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194623-A1 Method for the Synthesis of Quinoline Derivatives LABAW CLIFFORD S 2008-08-14 US claimed
EP-1919871-A2 METHOD FOR THE SYNTHESIS OF QUINOLI E DERIVATIVES Smithkline Beecham Corporation (US) 2008-05-14 EP claimed
WO-2007016609-A2 METHOD FOR THE SYNTHESIS OF QUINOLIΝE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-08 WO claimed
US-20080194623-A1 Method for the Synthesis of Quinoline Derivatives LABAW CLIFFORD S 2008-08-14 US disclosed
EP-1919871-A2 METHOD FOR THE SYNTHESIS OF QUINOLI E DERIVATIVES Smithkline Beecham Corporation (US) 2008-05-14 EP disclosed
WO-2007016609-A2 METHOD FOR THE SYNTHESIS OF QUINOLIΝE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-08 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-20080194623-A1 Method for the Synthesis of Quinoline Derivatives NQO2, CYP3A4, NQO1 DHODH 262/4885PDE10A 1790/4885TACR3 1554/4885

“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.