SCHEMBL4884627

SCHEMBL4884627

COc1nc2ccccc2cc1-c1cc2cc(C=O)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.52
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE10A Q9Y233 1/20 0.40
HDAC3 O15379 8/20 0.39
HDAC1 Q13547 8/20 0.39
GAA P10253 1/20 0.39
HDAC2 Q92769 6/20 0.39
NCOR1 O75376 3/20 0.39
KDR P35968 3/20 0.38
CHEK1 O14757 1/20 0.38
NPC1 O15118 2/20 0.38
PDE5A O76074 1/20 0.37

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
SCHEMBL5442086 0.83 BTK (0.50) BTKALDH1A1KDM4EMAPTHPGD
SCHEMBL4884350 0.80 HTT (0.49) BTKALDH1A1KDM4EMAPTHPGD
SCHEMBL4888644 0.79 BTK (0.46) BTKALDH1A1KDM4EMAPTHPGD
SCHEMBL5447652 0.77 BTK (0.45) BTKALDH1A1KDM4EMAPTHPGD
SCHEMBL5447656 0.76 KDR (0.57) BTKALDH1A1KDM4EMAPTHPGD
SCHEMBL5076134 0.74 KDR (0.72) KDRCHEK1
SCHEMBL14269691 0.73 CHEK1 (0.54) KDRCHEK1
SCHEMBL5443779 0.73 CHEK1 (0.46) BTKCHEK1
SCHEMBL4891384 0.71 CHEK1 (0.45) BTKCHEK1
SCHEMBL5480000 0.71 KDR (0.42) BTKALDH1A1KDM4EMAPTHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US claimed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP claimed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO claimed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US 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 BTK 202/4885ALDH1A1 2175/4885KDM4E 3829/4885

“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.