SCHEMBL4944736

SCHEMBL4944736

CC(C)(C)OC(=O)N1CCCC(c2cc(-c3c(O)cccc3O)nc(N)c2C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.43
SMARCA4 P51532 2/20 0.43
PBRM1 Q86U86 2/20 0.43
USP30 Q70CQ3 2/20 0.42
FEN1 P39748 3/20 0.42
ALOX5AP P20292 2/20 0.42
HPGDS O60760 1/20 0.42
SCN9A Q15858 1/20 0.40
IKBKB O14920 2/20 0.40
PRMT5 O14744 2/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HSD11B1 P28845 1/20 0.39
PARP1 P09874 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
ABL2 P42684 1/20 0.38

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
SCHEMBL4943483 0.93 SMARCA2 (0.43) SMARCA2SMARCA4PBRM1USP30FEN1
SCHEMBL4947805 0.91 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1USP30FEN1
SCHEMBL14339633 0.89 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1USP30FEN1
SCHEMBL4944907 0.86 IKBKB (0.57) IKBKB
SCHEMBL4947201 0.84 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1USP30FEN1
SCHEMBL4938233 0.84 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1USP30FEN1
SCHEMBL4947972 0.84 SMARCA2 (0.51) SMARCA2SMARCA4PBRM1USP30FEN1
SCHEMBL4945530 0.83 IKBKB (0.49) FEN1ALOX5APIKBKB
SCHEMBL5425664 0.82 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1USP30FEN1
SCHEMBL14046508 0.81 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1USP30FEN1

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-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 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-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 SMARCA2 2927/4885SMARCA4 2634/4885PBRM1 2248/4885

“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.