SCHEMBL4888644

SCHEMBL4888644

COc1nc2ccccc2cc1-c1cc2cc(CO)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
HDAC3 O15379 6/20 0.41
HDAC1 Q13547 6/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR1 O14842 5/20 0.41
PPARG P37231 2/20 0.40
CBFB Q13951 2/20 0.40
PDE10A Q9Y233 1/20 0.40
HDAC2 Q92769 4/20 0.40
NCOR1 O75376 3/20 0.40
HDAC8 Q9BY41 2/20 0.39
USP2 O75604 1/20 0.38

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) BTKHDAC3HDAC1ALDH1A1HPGD
SCHEMBL14269691 0.82 CHEK1 (0.54)
SCHEMBL5443779 0.81 CHEK1 (0.46) BTK
SCHEMBL4884350 0.80 HTT (0.49) BTKHDAC3HDAC1ALDH1A1HPGD
SCHEMBL4884627 0.79 BTK (0.52) BTKHDAC3HDAC1ALDH1A1HPGD
SCHEMBL5447656 0.79 KDR (0.57) BTKHDAC3HDAC1ALDH1A1HPGD
SCHEMBL4891384 0.77 CHEK1 (0.45) BTK
SCHEMBL5447652 0.77 BTK (0.45) BTKHDAC3HDAC1ALDH1A1HPGD
Tert-Butyl Formate SCHEMBL27486791 0.76 FFAR1 (0.39) FFAR1PPARG
SCHEMBL5480663 0.74 CHEK1 (0.38) BTKHDAC3HDAC1HDAC2HDAC8

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 202/4885HDAC3 1816/4885HDAC1 2538/4885

“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.