SCHEMBL4495774

SCHEMBL4495774

COc1cccc2c(NC(=O)CC#N)c(C(=O)c3ccc(Br)cc3)oc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
MAPT P10636 9/20 0.47
THRB P10828 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL4514989 0.82 CYSLTR2 (0.43) TP53MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4514987 0.82 CYSLTR2 (0.43) TP53MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4514984 0.82 CYSLTR2 (0.43) TP53MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4504725 0.77 MAPT (0.46) TP53MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4504794 0.77 MMP1 (0.48) TP53MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4504798 0.77 MMP1 (0.48) TP53MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4503312 0.76 MAPT (0.48) TP53MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4496309 0.71 MAPT (0.53) TP53MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4507435 0.70 NPSR1 (0.47) TP53MAPTTHRBSMN1; SMN2NPSR1
SCHEMBL4498802 0.68 ALDH1A1 (0.42) TP53MAPTTHRBSMN1; SMN2NPSR1

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 TP53 3460/4885MAPT 1497/4885THRB 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.