SCHEMBL4884249

SCHEMBL4884249

O=C(CCC(=O)N1CCCCC1)Nc1ccc(Br)cc1C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.37
CASP2 P42575 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CCKBR P32239 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
SCHEMBL4892541 0.91 POLB (0.39) KMT2AMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL4894280 0.91 ALDH1A1 (0.43) KMT2AMEN1MAPK1KDM4ETDP1
SCHEMBL4894518 0.91 TSHR (0.39) KMT2AMEN1NPC1MAPK1KDM4E
SCHEMBL4890196 0.91 MAPK1 (0.37) KMT2AMEN1NPC1CYP1A2CYP2D6
SCHEMBL4891474 0.86 HPGD (0.42) HPGDKDM4EPOLBCASP7ALDH1A1
SCHEMBL4896609 0.85 KMT2A (0.47) KMT2AMEN1NPC1CYP1A2CYP2D6
SCHEMBL4892495 0.84 POLB (0.40) KMT2AMEN1NPC1CYP1A2CYP2D6
SCHEMBL14103287 0.83 HRH4 (0.35) KMT2AMEN1NPC1KDM4EALDH1A1
SCHEMBL14102812 0.82 POLB (0.37) KMT2AMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL4894751 0.77 POLB (0.43) KMT2AMEN1CYP1A2CYP2D6CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO 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
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 KMT2A 2650/4885MEN1 3917/4885NPC1 1880/4885

“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.