SCHEMBL4860943

SCHEMBL4860943

CC[C@@H]1Nc2cc(Br)ccc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.44
MAPT P10636 9/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 5/20 0.43
NQO2 P16083 1/20 0.43
MGAT2 Q10469 1/20 0.41
BRD4 O60885 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 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
SCHEMBL28821831 1.00 TP53 (0.44) TP53MAPTPOLBLMNANQO2
SCHEMBL28821832 1.00 TP53 (0.44) TP53MAPTPOLBLMNANQO2
SCHEMBL25316346 0.94 TP53 (0.44) TP53MAPTPOLBLMNANQO2
SCHEMBL4869296 0.94 TP53 (0.44) TP53MAPTPOLBLMNANQO2
SCHEMBL30493626 0.94 TP53 (0.44) TP53MAPTPOLBLMNANQO2
SCHEMBL4867636 0.82 MAPT (0.47) TP53MAPTPOLBLMNAMGAT2
SCHEMBL16785608 0.81 NQO2 (0.44) TP53MAPTPOLBLMNANQO2
SCHEMBL4869505 0.81 MAPT (0.41) TP53MAPTPOLBLMNAMGAT2
SCHEMBL4866364 0.81 MAPT (0.41) TP53MAPTPOLBLMNAMGAT2
SCHEMBL16238512 0.79 MAPT (0.48) TP53MAPTPOLBLMNANQO2

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-7351709-B2 Estrogen receptor ligands WYETH (US) 2008-04-01 US disclosed
US-20060019961-A1 Estrogen receptor ligands WYETH 2006-01-26 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-20060019961-A1 Estrogen receptor ligands GPER1, ESR2, ESR1 TP53 848/4885MAPT 3994/4885POLB 4581/4885

“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.