SCHEMBL3765579

SCHEMBL3765579

N#CSCC(=O)c1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 4/20 0.62
HPGD P15428 3/20 0.62
HTT P42858 2/20 0.62
HSP90AA1 P07900 1/20 0.62
PTPN1 P18031 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
CPB1 P15086 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX15 P16050 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CTNNB1 P35222 3/20 0.43
WNT3A P56704 3/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 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
SCHEMBL3761126 0.87 HPGD (0.59) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL3765789 0.80 CES2 (0.50) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL30377988 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL28081572 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL3642633 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL3761650 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL3972813 0.78 DGAT1 (0.50) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL11435010 0.77 ALDH1A1 (1.00) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL138307 0.77 PTPN1 (0.53) ALDH1A1MAPTHPGDPTPN1ERCC5
SCHEMBL27711563 0.76 ALDH1A1 (0.58) ALDH1A1MAPTHPGDHTTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 ALDH1A1 353/4885MAPT 3805/4885HPGD 429/4885

“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.