SCHEMBL13744688

SCHEMBL13744688

C[N+](C)(C)[C@H]1CC[C@H](C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ POLB P06746 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ MAPT P10636 6/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ TSHR P16473 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ TP53 P04637 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ DHODH Q02127 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NPC1 O15118 1/20 0.46
▸ CASP3 P42574 1/20 0.46

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
Iodide SCHEMBL2947683 0.94 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL4312980 0.89 KMT2A (0.62) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL4312968 0.89 KMT2A (0.62) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL4318005 0.88 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL2949472 0.88 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL2949468 0.88 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL4318011 0.88 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL13744493 0.88 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL13744691 0.88 MEN1 (0.70) SMN1; SMN2KMT2AMEN1POLBRXFP1
SCHEMBL2940128 0.88 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1POLBRXFP1

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-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 SMN1; SMN2 3067/4885KMT2A 1518/4885MEN1 2864/4885

“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.

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