SCHEMBL5042391

SCHEMBL5042391

O=C(c1ccccc1)c1ccc(F)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
SRD5A2 P31213 1/20 0.52
NPC1 O15118 4/20 0.50
RXFP1 Q9HBX9 1/20 0.50
EPHX2 P34913 1/20 0.50
VNN1 O95497 4/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
HPGD P15428 1/20 0.44
ALOX15 P16050 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
SCHEMBL27594193 0.90 RXFP1 (0.53) SRD5A2NPC1RXFP1EPHX2VNN1
SCHEMBL5046191 0.86 NPC1 (0.66) ALDH1A1NPC1RXFP1VNN1KMT2A
SCHEMBL16554511 0.80 PTGS2 (0.54) ALDH1A1NPC1KMT2AMEN1TDP1
SCHEMBL30448953 0.79 P4HA1 (0.61) ALDH1A1EPHX2L3MBTL1MAPTHPGD
SCHEMBL646556 0.79 P4HA1 (0.61) ALDH1A1EPHX2L3MBTL1MAPTHPGD
SCHEMBL29646483 0.79 P4HA1 (0.61) ALDH1A1EPHX2L3MBTL1MAPTHPGD
SCHEMBL29723813 0.79 P4HA1 (0.61) ALDH1A1EPHX2L3MBTL1MAPTHPGD
SCHEMBL114624 0.79 RXFP1 (0.45) ALDH1A1NPC1RXFP1EPHX2KMT2A
Hydrochloric Acid SCHEMBL698501 0.78 P4HA1 (0.59) ALDH1A1EPHX2L3MBTL1MAPTHPGD
SCHEMBL12921446 0.77 HDAC1 (0.55) ALDH1A1SRD5A2NPC1VNN1KMT2A

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-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 US disclosed
EP-1438309-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2004-07-21 EP disclosed
WO-2003033495-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2003-04-24 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-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 ALDH1A1 727/4885SRD5A2 1744/4885NPC1 4468/4885

“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.