SCHEMBL4930880

SCHEMBL4930880

CNc1cc(C#N)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.41
EGLN1 Q9GZT9 3/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
FLT1 P17948 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
NPC1 O15118 1/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RIN1 Q13671 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5718139 0.95 MRGPRX4 (0.38) MRGPRX4EGLN1ITGB3ITGA2BALDH1A1
SCHEMBL5110614 0.90 MRGPRX4 (0.40) MRGPRX4EGLN1ITGB3ITGA2BALDH1A1
SCHEMBL4930909 0.90 MRGPRX4 (0.40) MRGPRX4EGLN1ITGB3ITGA2BALDH1A1
SCHEMBL4929549 0.90 MRGPRX4 (0.40) MRGPRX4EGLN1ITGB3ITGA2BALDH1A1
SCHEMBL4934946 0.90 SMN1; SMN2 (0.41) MRGPRX4EGLN1ITGB3ITGA2BMEN1
SCHEMBL5110916 0.88 MRGPRX4 (0.39) MRGPRX4EGLN1ITGB3ITGA2BALDH1A1
SCHEMBL4929539 0.88 MRGPRX4 (0.39) MRGPRX4EGLN1ITGB3ITGA2BALDH1A1
SCHEMBL5717839 0.88 THRA (0.44) MRGPRX4EGLN1MEN1KMT2ASMN1; SMN2
SCHEMBL5106743 0.87 KMT2A (0.39) MRGPRX4EGLN1ITGB3ITGA2BALDH1A1
SCHEMBL5718143 0.86 MRGPRX4 (0.36) MRGPRX4EGLN1ALDH1A1GAAKDM4E

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 MRGPRX4 119/4885EGLN1 2616/4885ITGB3 2743/4885

“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.