SCHEMBL4892453

SCHEMBL4892453

CCC1CC(C)CN(C(=O)c2cc(Br)ccc2NC(=O)CNC(=O)c2cccnc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.40
RORC P51449 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL4882720 0.94 HTT (0.50) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL14103273 0.92 HTT (0.44) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4887003 0.90 HTT (0.57) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4893177 0.84 NAMPT (0.44) HTTMAPTGAAMEN1KMT2A
SCHEMBL4893569 0.84 POLB (0.40) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4895123 0.83 HTT (0.48) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4896087 0.83 HTT (0.64) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4886273 0.82 KDM4E (0.46) HTTNPSR1ALDH1A1POLBSMN1; SMN2
SCHEMBL4894885 0.82 KMT2A (0.46) HTTNPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4886340 0.82 TSHR (0.51) NPSR1ALDH1A1POLBMAPTSMN1; 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 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 HTT 2341/4885NPSR1 2465/4885ALDH1A1 276/4885

“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.