SCHEMBL4883902

SCHEMBL4883902

O=C(CNC(=O)c1ccco1)Nc1ccc(Br)cc1C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 3/20 0.42
NAMPT P43490 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 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
SCHEMBL4898676 0.87 KDM4E (0.50) KDM4EHSD17B10HTTNPSR1ALDH1A1
SCHEMBL4886273 0.82 KDM4E (0.46) KDM4EHSD17B10HTTNPSR1ALDH1A1
SCHEMBL4895123 0.81 HTT (0.48) KDM4EHTTNPSR1ALDH1A1POLB
SCHEMBL14087762 0.79 ALDH1A1 (0.37) KDM4EHSD17B10HTTALDH1A1POLB
SCHEMBL4892536 0.76 ALDH1A1 (0.54) KDM4EHSD17B10HTTALDH1A1POLB
SCHEMBL4895640 0.75 KDM4E (0.53) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL4892495 0.75 POLB (0.40) KDM4EHSD17B10HTTNPSR1ALDH1A1
SCHEMBL14103623 0.74 KDM4E (0.44) KDM4EHSD17B10HTTNPSR1ALDH1A1
SCHEMBL4894280 0.74 ALDH1A1 (0.43) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL4884249 0.74 KMT2A (0.43) KDM4EALDH1A1POLBKMT2ANPC1

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-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E KDM4E 2519/4885HSD17B10 240/4885HTT 2341/4885

“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.