SCHEMBL4491944

SCHEMBL4491944

CC(O)=C(C#N)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.56
CYSLTR1 Q9Y271 1/20 0.56
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
BTK Q06187 1/20 0.47
PLK3 Q9H4B4 1/20 0.47

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
SCHEMBL4491939 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1MAPTSMN1; SMN2NPSR1
SCHEMBL4491934 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1MAPTSMN1; SMN2NPSR1
SCHEMBL4505192 0.90 CYSLTR2 (0.68) CYSLTR2CYSLTR1MAPTSMN1; SMN2NPSR1
SCHEMBL4505189 0.90 CYSLTR2 (0.68) CYSLTR2CYSLTR1MAPTSMN1; SMN2NPSR1
SCHEMBL4505196 0.90 CYSLTR2 (0.68) CYSLTR2CYSLTR1MAPTSMN1; SMN2NPSR1
SCHEMBL4508643 0.86 KMT2A (0.55) CYSLTR2CYSLTR1MAPTSMN1; SMN2NPSR1
SCHEMBL4508638 0.86 KMT2A (0.55) CYSLTR2CYSLTR1MAPTSMN1; SMN2NPSR1
SCHEMBL4508645 0.86 KMT2A (0.55) CYSLTR2CYSLTR1MAPTSMN1; SMN2NPSR1
SCHEMBL4495816 0.86 KMT2A (0.58) CYSLTR2CYSLTR1MAPTSMN1; SMN2NPSR1
SCHEMBL4495811 0.86 KMT2A (0.58) CYSLTR2CYSLTR1MAPTSMN1; 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 3 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-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 CYSLTR2 4/4885CYSLTR1 5/4885MAPT 1497/4885

“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.