SCHEMBL5440913

SCHEMBL5440913

Fc1cccc(CNc2cccc(Cl)c2)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
CYP1A2 P05177 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HPGD P15428 1/20 0.59
CYP3A4 P08684 2/20 0.56
PLA2G1B P04054 1/20 0.56
CYP2D6 P10635 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 7/20 0.53
ATM Q13315 1/20 0.53
MAOB P27338 1/20 0.47
GAA P10253 1/20 0.46
P2RX7 Q99572 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6770100 0.80 KMT2A (0.49) ALDH1A1CYP2C9CYP2C19CYP1A2L3MBTL1
SCHEMBL632689 0.78 KCNJ5 (0.60) ALDH1A1CYP2C9CYP2C19CYP1A2L3MBTL1
SCHEMBL11512742 0.77 KCNJ5 (0.51) ALDH1A1CYP2C9CYP2C19CYP1A2L3MBTL1
SCHEMBL4574769 0.76 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2L3MBTL1
SCHEMBL27597916 0.75 MAPT (0.67) ALDH1A1CYP2C9CYP2C19CYP1A2L3MBTL1
SCHEMBL4101790 0.75 NOS2 (0.62) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL11511984 0.75 MAOB (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2L3MBTL1
SCHEMBL11512272 0.75 MAPT (0.56) ALDH1A1CYP2C9CYP2C19CYP1A2L3MBTL1
SCHEMBL11527837 0.74 MAPT (0.56) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4574390 0.74 DHFR (0.47) ALDH1A1CYP2C9CYP2C19CYP1A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238751-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-10-11 US disclosed
EP-1732923-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
WO-2005099706-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-27 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-20070238751-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 ALDH1A1 2948/4885CYP2C9 3182/4885CYP2C19 3423/4885

“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.