SCHEMBL3454518

SCHEMBL3454518

CCOC(=O)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 3/20 0.54
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
MEN1 O00255 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ATM Q13315 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL8560540 0.89 GAA (0.62) POLBTDP1KMT2AL3MBTL1MEN1
SCHEMBL7372704 0.88 NPC1 (0.54) POLBNPC1LMNATDP1KMT2A
SCHEMBL20831533 0.88 TDP1 (0.72) POLBLMNATDP1L3MBTL1GAA
SCHEMBL15912476 0.87 TDP1 (0.57) POLBNPC1TDP1L3MBTL1GAA
SCHEMBL7370199 0.86 TDP1 (0.52) POLBNPC1LMNATDP1KMT2A
SCHEMBL7369514 0.86 CARM1 (0.52) POLBNPC1LMNATDP1KMT2A
SCHEMBL7373227 0.85 TDP1 (0.76) TDP1KMT2APDE4APDE4BPDE4C
SCHEMBL27512619 0.84 KMT2A (0.56) POLBNPC1LMNATDP1KMT2A
SCHEMBL850967 0.84 ELANE (0.53) POLBTDP1KMT2AL3MBTL1MEN1
SCHEMBL7674701 0.82 KMT2A (0.64) TDP1KMT2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 POLB 3369/4885NPC1 778/4885LMNA 3391/4885

“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.