SCHEMBL4491691

SCHEMBL4491691

C/C=C/C(=O)Nc1c(C#N)oc2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.41
ERBB2 P04626 3/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PIM1 P11309 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL4491698 1.00 EGFR (0.41) EGFRERBB2KCNH2MAPTSMN1; SMN2
SCHEMBL4496350 0.84 MAOB (0.49) EGFRSMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL4496355 0.84 MAOB (0.49) EGFRSMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL13600995 0.81 MAPT (0.43) EGFRERBB2MAPTSMN1; SMN2NPSR1
SCHEMBL4503345 0.81 MAPT (0.53) MAPTSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL4503337 0.81 MAPT (0.53) MAPTSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL13102912 0.78 KMT2A (0.46) EGFRKCNH2MAPTSMN1; SMN2NPSR1
SCHEMBL4504748 0.77 ALDH1A1 (0.55) KCNH2MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4504742 0.77 ALDH1A1 (0.55) KCNH2MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4504745 0.77 ALDH1A1 (0.55) 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 EGFR 4850/4885ERBB2 3635/4885KCNH2 849/4885

“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.