SCHEMBL3932873

SCHEMBL3932873

COC(=O)c1nc(Cl)c2ccccc2c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
STAT3 P40763 1/20 0.45
HIF1A Q16665 1/20 0.45
EGLN1 Q9GZT9 5/20 0.44
BBOX1 O75936 3/20 0.44
FTO Q9C0B1 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
IDO1 P14902 1/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR4A2 P43354 1/20 0.41
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL3281372 0.85 KDM4E (0.48) KDM4EALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL13463015 0.83 EGLN1 (0.36) KDM4EALDH1A1NPSR1HPGDEGLN1
SCHEMBL13938231 0.83 KDM4E (0.47) KDM4EALDH1A1NPSR1HPGDSTAT3
SCHEMBL2017928 0.83 EGLN1 (0.58) KDM4EALDH1A1NPSR1STAT3HIF1A
SCHEMBL3580539 0.82 NR4A2 (0.40) KDM4EALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL3575594 0.82 NR4A2 (0.40) KDM4EALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL30745057 0.82 LMNA (0.54) KDM4EALDH1A1NPSR1HPGDEGLN1
SCHEMBL3580771 0.81 PLA2G2A (0.42) KDM4EALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL3573811 0.81 PLA2G2A (0.42) KDM4EALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL30745105 0.81 KDM4E (0.46) KDM4EALDH1A1NPSR1HPGDSTAT3

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
EP-1786807-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2009-07-29 EP disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
EP-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP disclosed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 WO disclosed
US-20060040927-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-23 US disclosed
US-5658933-A Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 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 (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-20060040927-A1 Heterocyclic antiviral compounds HAVCR2, POLR1A, HCCS KDM4E 2915/4885ALDH1A1 113/4885NPSR1 2185/4885

“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.