SCHEMBL3016029

SCHEMBL3016029

O=C(CC1CCN(C2=NCCO2)CC1)Nc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ DEGS1 O15121 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 3/20 0.38

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
SCHEMBL2948474 0.84 SMN1; SMN2 (0.55) SMN1; SMN2DEGS1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL2943011 0.83 SMN1; SMN2 (0.54) SMN1; SMN2DEGS1KDM4EALDH1A1GAA
SCHEMBL2939976 0.83 SMN1; SMN2 (0.56) SMN1; SMN2DEGS1KDM4EALDH1A1GAA
SCHEMBL2948530 0.81 SMN1; SMN2 (0.51) SMN1; SMN2DEGS1KDM4EALDH1A1GAA
SCHEMBL13665025 0.76 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EALDH1A1GAANPC1
SCHEMBL13290440 0.74 F10 (0.47) SMN1; SMN2DEGS1KDM4ENPC1RAB9A
SCHEMBL13665022 0.74 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EALDH1A1GAANPC1
SCHEMBL13665008 0.74 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EALDH1A1GAATSHR
SCHEMBL13664964 0.74 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1GAANPC1
SCHEMBL4327565 0.74 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1GAANPC1

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 3151/4885DEGS1 3464/4885KDM4E 1427/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 SMN1; SMN2 3067/4885DEGS1 3516/4885KDM4E 1464/4885

“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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