SCHEMBL4923977

SCHEMBL4923977

CCC(C)Nc1cc(C#N)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
EGLN1 Q9GZT9 3/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE5A O76074 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
DHODH Q02127 2/20 0.33
GPR139 Q6DWJ6 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
FLT1 P17948 1/20 0.32
EGLN3 Q9H6Z9 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
SCHEMBL4926820 0.92 EGLN1 (0.38) SMN1; SMN2THRATHRBEGLN1MRGPRX4
SCHEMBL4931752 0.87 THRB (0.47) SMN1; SMN2THRATHRBEGLN1MRGPRX4
SCHEMBL4352280 0.87 SMN1; SMN2 (0.39) SMN1; SMN2THRATHRBMEN1KMT2A
SCHEMBL4932888 0.87 SMN1; SMN2 (0.39) SMN1; SMN2THRATHRBMEN1KMT2A
SCHEMBL4934946 0.86 SMN1; SMN2 (0.41) SMN1; SMN2THRATHRBEGLN1MRGPRX4
SCHEMBL5115592 0.86 SMN1; SMN2 (0.38) SMN1; SMN2THRATHRBEGLN1MRGPRX4
SCHEMBL5112232 0.86 KMT2A (0.39) SMN1; SMN2THRATHRBEGLN1MRGPRX4
SCHEMBL4932371 0.86 SMN1; SMN2 (0.39) SMN1; SMN2THRATHRBMEN1KMT2A
SCHEMBL5110808 0.85 SMN1; SMN2 (0.38) SMN1; SMN2THRATHRBEGLN1MRGPRX4
SCHEMBL4932995 0.85 THRB (0.39) SMN1; SMN2THRATHRBEGLN1MRGPRX4

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 4282/4885THRA 3/4885THRB 4/4885

“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.