SCHEMBL13044871

SCHEMBL13044871

COC(=O)c1cc(Oc2ccc3ccccc3c2)c(F)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
RCE1 Q9Y256 1/20 0.48
SCN9A Q15858 2/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PLA2G7 Q13093 1/20 0.44
PARG Q86W56 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CFTR P13569 2/20 0.43
MAPT P10636 2/20 0.43
GCK P35557 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 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
SCHEMBL13044873 0.81 KDM4E (0.42) KDM4EGAASCN9ASLC6A2SLC6A4
SCHEMBL13044872 0.81 TDP1 (0.51) SCN9ASLC6A2SLC6A4SLC6A3PLA2G7
SCHEMBL31371768 0.79 GAA (0.49) KDM4EGAARCE1SCN9ASLC6A2
SCHEMBL3424917 0.76 KDM4E (0.74) KDM4EGAAALDH1A1HSD17B10CFTR
SCHEMBL30393412 0.76 ALDH1A1 (0.61) KDM4EGAASLC6A2SLC6A4SLC6A3
SCHEMBL266131 0.76 ALDH1A1 (0.61) KDM4EGAASLC6A2SLC6A4SLC6A3
SCHEMBL11922623 0.73 NPC1 (0.49) KDM4EGAAALDH1A1HSD17B10CFTR
SCHEMBL28685844 0.73 ALDH1A1 (0.58) KDM4EGAASLC6A2SLC6A4SLC6A3
SCHEMBL21359332 0.73 HSD17B10 (0.49) KDM4EGAASCN9ASLC6A2SLC6A4
SCHEMBL195591 0.73 KDM4E (0.61) KDM4EGAAALDH1A1HSD17B10CFTR

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-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B KDM4E 3068/4885GAA 1818/4885RCE1 649/4885

“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.