SCHEMBL4894280

SCHEMBL4894280

O=C(CCC(=O)N1CCOCC1)Nc1ccc(Br)cc1C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL4884249 0.91 KMT2A (0.43) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL4894518 0.89 TSHR (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4890196 0.89 MAPK1 (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4892541 0.89 POLB (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL21067812 0.86 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14103285 0.85 MAPT (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4892495 0.82 POLB (0.40) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL4884288 0.81 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14103287 0.81 HRH4 (0.35) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14102812 0.80 POLB (0.37) ALDH1A1MAPTMEN1KMT2ALMNA

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 ALDH1A1 276/4885MAPT 3976/4885MEN1 3917/4885

“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.