SCHEMBL4889898

SCHEMBL4889898

Nc1cc(C(F)(F)F)ccc1C=C(Br)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BACE1 P56817 1/20 0.42
CFTR P13569 1/20 0.41
LMNA P02545 2/20 0.41
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NOS3 P29474 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
SCHEMBL14269554 0.86 CFTR (0.46) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL21823799 0.80 KDM4E (0.43) KDM4EPKMBACE1EPHX2SCN4A
SCHEMBL21864798 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL22359538 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL5106918 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL19145485 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL4891280 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EBACE1L3MBTL1KMT2A
SCHEMBL8100291 0.75 KDM4E (0.36) ALDH1A1KDM4EBACE1EPHX2SCN4A
SCHEMBL30996284 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL16317578 0.71 ALDH1A1 (0.35) ALDH1A1PKMHPGDHSD17B10GAA

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 2175/4885KDM4E 3829/4885PKM 4161/4885

“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.