SCHEMBL2949477

SCHEMBL2949477

CN(CCCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HSD17B10 Q99714 5/20 0.45
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 6/20 0.43
▸ TSHR P16473 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL2949473 1.00 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
SCHEMBL13290570 0.91 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
SCHEMBL2947430 0.87 HSD17B10 (0.50) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
SCHEMBL2947427 0.87 HSD17B10 (0.50) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
SCHEMBL2942645 0.87 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
SCHEMBL2942642 0.87 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
SCHEMBL2949585 0.87 SMN1; SMN2 (0.54) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
SCHEMBL2949583 0.87 SMN1; SMN2 (0.54) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL2949511 0.86 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL2949515 0.86 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 — — EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 — — US disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 — — US disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 — — EP 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 (2 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-20050282808-A1 Benzofuran derivative F12, F2, F11 SMN1; SMN2 3151/4885HSD17B10 904/4885MEN1 2756/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 SMN1; SMN2 3067/4885HSD17B10 922/4885MEN1 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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