SCHEMBL4884350

SCHEMBL4884350

COC(=O)c1ccc2[nH]c(-c3cc4ccccc4nc3OC)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
BTK Q06187 1/20 0.47
PDE10A Q9Y233 1/20 0.47
HDAC3 O15379 7/20 0.44
HDAC1 Q13547 7/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDR P35968 2/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 4/20 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
SCHEMBL537370 0.82 ALOX15 (0.51) HTTALOX15BTKPDE10AHDAC3
SCHEMBL5442086 0.81 BTK (0.50) ALOX15BTKPDE10AHDAC3HDAC1
SCHEMBL4884627 0.80 BTK (0.52) BTKPDE10AHDAC3HDAC1ALDH1A1
SCHEMBL4888644 0.80 BTK (0.46) BTKPDE10AHDAC3HDAC1ALDH1A1
SCHEMBL5447652 0.78 BTK (0.45) BTKPDE10AHDAC3HDAC1ALDH1A1
SCHEMBL976938 0.76 F2 (0.59) ALDH1A1SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL5447656 0.75 KDR (0.57) BTKPDE10AHDAC3HDAC1ALDH1A1
SCHEMBL1251295 0.72 FFAR1 (0.54) HTTALOX15ALDH1A1KDM4EHPGD
SCHEMBL6786850 0.72 HTT (0.68) HTTALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14269691 0.72 CHEK1 (0.54) KDR

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 HTT 2408/4885ALOX15 3292/4885BTK 202/4885

“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.