SCHEMBL5484462

SCHEMBL5484462

Nc1ccc(I)cc1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
SRD5A2 P31213 1/20 0.52
PTGS1 P23219 4/20 0.52
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA1 P30542 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR2 P34972 1/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TLR7 Q9NYK1 1/20 0.44
CNR1 P21554 1/20 0.44
ESRRA P11474 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5347968 0.84 PTGS1 (0.59) CES2SRD5A2PTGS1MAPTMEN1
SCHEMBL5483962 0.80 MAPT (0.53) CES2SRD5A2MAPTMEN1ALDH1A1
SCHEMBL30318 0.80 MPO (0.51) CES2SRD5A2PTGS1MAPTMEN1
SCHEMBL1877051 0.78 MAPT (0.64) MAPTMEN1ALDH1A1ADORA1KMT2A
SCHEMBL29980197 0.78 MAPT (0.64) MAPTMEN1ALDH1A1ADORA1KMT2A
SCHEMBL6854416 0.78 ALOX15 (0.51) MAPTALDH1A1KMT2A
SCHEMBL1237189 0.78 SRD5A2 (0.79) CES2SRD5A2MAPTMEN1ALDH1A1
SCHEMBL3486347 0.77 MAPT (0.61) CES2SRD5A2PTGS1MAPTALDH1A1
SCHEMBL4710822 0.75 MEN1 (0.54) CES2SRD5A2PTGS1MAPTMEN1
SCHEMBL2079912 0.75 VNN1 (0.51) CES2SRD5A2PTGS1MAPTMEN1

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-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A CES2 192/4885SRD5A2 1212/4885PTGS1 225/4885

“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.