SCHEMBL4934028

SCHEMBL4934028

CCCNc1cc(C)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 5/20 0.34
THRA P10827 4/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
PAX8 Q06710 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MMP1 P03956 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EGLN1 Q9GZT9 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4929941 0.92 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AMAPTL3MBTL1THRB
SCHEMBL4931285 0.90 ALDH1A1 (0.37) SMN1; SMN2RAB9AMAPTTHRBLMNA
SCHEMBL4927472 0.90 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AMAPTL3MBTL1THRB
SCHEMBL4931627 0.88 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AMAPTL3MBTL1THRB
SCHEMBL4932593 0.87 THRA (0.35) SMN1; SMN2RAB9AMAPTL3MBTL1THRB
SCHEMBL5118797 0.86 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AMAPTL3MBTL1THRB
SCHEMBL4934628 0.86 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AMAPTL3MBTL1THRB
SCHEMBL5106726 0.86 NR3C1 (0.34) SMN1; SMN2RAB9AMAPTL3MBTL1THRB
SCHEMBL5116836 0.86 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AMAPTL3MBTL1THRB
SCHEMBL4934021 0.86 CRHR1 (0.34) SMN1; SMN2RAB9AMAPTTHRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA SMN1; SMN2 4282/4885RAB9A 986/4885MAPT 4142/4885

“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.