SCHEMBL4504745

SCHEMBL4504745

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
LMNA P02545 1/20 0.55
THRB P10828 1/20 0.55
BLM P54132 1/20 0.55
BTK Q06187 1/20 0.55
PLK3 Q9H4B4 1/20 0.55
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
HPGD P15428 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL4504748 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4504742 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4495807 0.86 KMT2A (0.58) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4508638 0.86 KMT2A (0.55) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4495816 0.86 KMT2A (0.58) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4508645 0.86 KMT2A (0.55) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4495811 0.86 KMT2A (0.58) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4508643 0.86 KMT2A (0.55) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4508479 0.83 DHODH (0.50) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4508469 0.83 DHODH (0.50) ALDH1A1MEN1KMT2ATSHRNPSR1

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 ALDH1A1 658/4885MEN1 3723/4885KMT2A 312/4885

“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.