SCHEMBL4503252

SCHEMBL4503252

CC(=O)c1oc2ccc(Br)cc2c1NC(=O)CC#N

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.58
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 3/20 0.48
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ESR1 P03372 1/20 0.46
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4496309 0.82 MAPT (0.53) KCNH2MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4508638 0.79 KMT2A (0.55) KCNH2MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4508645 0.79 KMT2A (0.55) KCNH2MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4508643 0.79 KMT2A (0.55) KCNH2MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL14425348 0.77 KDM4E (0.46) MAPTSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL4503345 0.76 MAPT (0.53) MAPTSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL4503337 0.76 MAPT (0.53) MAPTSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL4496216 0.75 KMT2A (0.53) KCNH2MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4495816 0.72 KMT2A (0.58) KCNH2MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4495811 0.72 KMT2A (0.58) KCNH2MAPTSMN1; SMN2NPSR1ALDH1A1

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 KCNH2 849/4885MAPT 1497/4885SMN1; SMN2 2975/4885

“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.