SCHEMBL4895409

SCHEMBL4895409

NC(=O)c1ccc(Br)cc1C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
RXFP1 Q9HBX9 1/20 0.39
SPR P35270 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RIPK1 Q13546 1/20 0.33
GPR183 P32249 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL4892518 0.81 KDM4E (0.48) DGAT1RXFP1MEN1KMT2AHPGD
SCHEMBL3899968 0.75 ALDH1A1 (0.56) DGAT1MEN1KMT2APOLBHPGD
SCHEMBL4896886 0.74 KDM4E (0.39) DGAT1RXFP1MEN1KMT2APOLB
SCHEMBL4892495 0.72 POLB (0.40) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL4884249 0.71 KMT2A (0.43) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL31641387 0.71 HPGD (0.54) KMT2APOLBHPGDGPR183LMNA
SCHEMBL2344362 0.71 DGAT1 (0.67) DGAT1RXFP1MEN1KMT2APOLB
SCHEMBL4894280 0.70 ALDH1A1 (0.43) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4892541 0.70 POLB (0.39) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL4886999 0.69 GRM5 (0.42) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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 1 patent. 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

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 DGAT1 1581/4885RXFP1 3243/4885SPR 582/4885

“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.