SCHEMBL4886587

SCHEMBL4886587

COc1ccc(N)c(C=C(Br)Br)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 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
SCHEMBL5327030 0.81 BCHE (0.47) BCHEKDM4EL3MBTL1
SCHEMBL5325699 0.80 IDO1 (0.38) L3MBTL1HTR1A
SCHEMBL14294239 0.79 CYP1A2 (0.39) L3MBTL1
SCHEMBL27664885 0.77 KDM4E (0.59) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL11750498 0.76 MEN1 (0.48) KDM4E
SCHEMBL3275499 0.75 RXRA (0.49) BCHE
SCHEMBL7293001 0.73 BCHE (0.58) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL31562616 0.72 BCHE (0.48) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL6958225 0.72 ERN1 (0.50) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL3953849 0.72 KMT2A (0.57) KDM4E

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-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN BCHE 334/4885KDM4E 3829/4885L3MBTL1 388/4885

“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.