SCHEMBL4891096

SCHEMBL4891096

CC(=O)c1ccc(-n2c(-c3ccccc3C)c(C)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC6 Q9UBN7 2/20 0.39
RORC P51449 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1030406 0.78 L3MBTL1 (0.55) ALDH1A1MAPTMEN1KMT2AHDAC6
SCHEMBL29420600 0.78 L3MBTL1 (0.55) ALDH1A1MAPTMEN1KMT2AHDAC6
SCHEMBL30709640 0.78 L3MBTL1 (0.55) ALDH1A1MAPTMEN1KMT2AHDAC6
SCHEMBL14269666 0.74 HAO1 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL16844243 0.71 L3MBTL1 (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL27786880 0.71 POLB (0.46) ALDH1A1MAPTMEN1KMT2AHDAC6
SCHEMBL25445413 0.69 CYP11B2 (0.51) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL1032916 0.69 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ARORC
SCHEMBL1030850 0.68 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ARORC
SCHEMBL2772796 0.68 MAPT (0.61) ALDH1A1MAPTNPC1RAB9ALMNA

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
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 ALDH1A1 2175/4885MAPT 4661/4885MEN1 1787/4885

“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.