SCHEMBL6318477

SCHEMBL6318477

[CH2]N(C)C[C@H](O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
CYP51A1 Q16850 6/20 0.49
GAA P10253 1/20 0.47
AOC3 Q16853 1/20 0.46
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNA5 P22460 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
ADRB3 P13945 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6643536 1.00 SMN1; SMN2 (0.51) SMN1; SMN2CYP51A1GAAAOC3CFTR
SCHEMBL6319993 0.86 SMN1; SMN2 (0.50) SMN1; SMN2CYP51A1GAAAOC3CFTR
SCHEMBL10891176 0.80 CYP51A1 (0.55) SMN1; SMN2CYP51A1GAACFTRSLC6A2
SCHEMBL6284970 0.80 AOC3 (0.68) SMN1; SMN2AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL6281184 0.79 AOC3 (0.47) CYP51A1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL1579049 0.77 LMNA (0.57) SMN1; SMN2CYP51A1GAACFTRSLC6A2
SCHEMBL7629318 0.77 SMN1; SMN2 (0.55) SMN1; SMN2GAACFTRSLC6A2SLC6A4
SCHEMBL21009583 0.77 LMNA (0.57) SMN1; SMN2CYP51A1GAACFTRSLC6A2
SCHEMBL32346286 0.77 LMNA (0.57) SMN1; SMN2CYP51A1GAACFTRSLC6A2
SCHEMBL7952831 0.77 LMNA (0.57) SMN1; SMN2CYP51A1GAACFTRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US claimed
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 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 (2 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 SMN1; SMN2 947/4885CYP51A1 434/4885GAA 269/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 SMN1; SMN2 1122/4885CYP51A1 501/4885GAA 320/4885

“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.