SCHEMBL4307458

SCHEMBL4307458

C[Si](C)(C)CCN1C(=O)CN(c2ccc(C[C@H](N)Cc3ccccc3)cc2OCc2ccccc2)S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.35
SCN4A P35499 3/20 0.34
LTA4H P09960 1/20 0.33
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CHRNA7 P36544 2/20 0.32
AKT1 P31749 2/20 0.31
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4307454 1.00 TACR1 (0.35) TACR1SCN4ALTA4HCYP19A1CYP11B1
SCHEMBL4307461 1.00 TACR1 (0.35) TACR1SCN4ALTA4HCYP19A1CYP11B1
SCHEMBL647136 0.88 CHRNA7 (0.34) LTA4HCYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL649516 0.88 MTNR1A (0.35) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL647168 0.87 CHRNA7 (0.34) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL646575 0.87 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL4315071 0.86 LTA4H (0.36) LTA4HCYP19A1CYP11B1CYP11B2
SCHEMBL3920744 0.86 LTA4H (0.36) LTA4HCYP19A1CYP11B1CYP11B2
SCHEMBL3920272 0.86 FFAR4 (0.46)
SCHEMBL3919076 0.86 MTNR1A (0.38) CYP19A1CYP11B1CYP11B2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC TACR1 1412/4885SCN4A 4741/4885LTA4H 1254/4885

“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.