SCHEMBL4894518

SCHEMBL4894518

CN1CCN(C(=O)CCC(=O)Nc2ccc(Br)cc2C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
STAT3 P40763 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4892541 0.93 POLB (0.39) TSHRPOLBKDM4EMAPK1TDP1
SCHEMBL14103287 0.92 HRH4 (0.35) TSHRL3MBTL1KDM4EKMT2AMEN1
SCHEMBL4884249 0.91 KMT2A (0.43) POLBKDM4EMAPK1TDP1KMT2A
SCHEMBL4894280 0.89 ALDH1A1 (0.43) TSHRPOLBKDM4EMAPK1TDP1
SCHEMBL4890196 0.89 MAPK1 (0.37) POLBKDM4EMAPK1TDP1KMT2A
SCHEMBL4892495 0.84 POLB (0.40) L3MBTL1POLBKDM4EMAPK1TDP1
SCHEMBL14102812 0.84 POLB (0.37) TSHRPOLBKDM4EMAPK1TDP1
SCHEMBL4891474 0.81 HPGD (0.42) TSHRPOLBKDM4EALDH1A1LMNA
SCHEMBL4894751 0.79 POLB (0.43) TSHRL3MBTL1POLBKDM4EMAPK1
SCHEMBL4896609 0.78 KMT2A (0.47) L3MBTL1POLBKDM4EMAPK1TDP1

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 TSHR 2909/4885L3MBTL1 3221/4885POLB 79/4885

“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.