SCHEMBL4499439

SCHEMBL4499439

CC(=O)NC(C)c1cc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
THRB P10828 1/20 0.54
MAOB P27338 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAOA P21397 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 2/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP2D6 P10635 1/20 0.48
HIF1A Q16665 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48

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
SCHEMBL31301099 1.00 ALDH1A1 (0.54) ALDH1A1LMNATHRBMAOBSMN1; SMN2
SCHEMBL9684715 0.84 ALDH1A1 (0.51) ALDH1A1LMNATHRBMAOBSMN1; SMN2
SCHEMBL9685852 0.82 ALDH1A1 (0.49) ALDH1A1LMNATHRBMAOBSMN1; SMN2
SCHEMBL1391086 0.81 KDM4E (0.54) ALDH1A1LMNAMAOBSMN1; SMN2KDM4E
SCHEMBL1391118 0.81 MIF (0.50) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL13601005 0.81 ALDH1A1 (0.48) ALDH1A1LMNATHRBMAOBSMN1; SMN2
SCHEMBL1390747 0.80 ALOX5 (0.37) ALDH1A1LMNATHRBMAOBSMN1; SMN2
SCHEMBL7920650 0.80 ALOX5 (0.37) ALDH1A1LMNATHRBSMN1; SMN2KDM4E
SCHEMBL1390756 0.80 HTT (0.54) ALDH1A1MAOACYP1A2MAPTMEN1
SCHEMBL28657395 0.80 MAOB (0.48) ALDH1A1LMNATHRBMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-20060194851-A1 Benzofuran compound and medicinal composition containing the same NEW INDUSTRY RESEARCH ORGANIZATION, THE (JP) 2006-08-31 US disclosed
EP-1627873-A1 BENZOFURAN COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME The New Industry Research Organization (JP) 2006-02-22 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 (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-20060194851-A1 Benzofuran compound and medicinal composition containing the same LTB4R2, LTC4S, LTB4R ALDH1A1 658/4885LMNA 1175/4885THRB 3665/4885

“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.