SCHEMBL5533437

SCHEMBL5533437

Oc1ccc(O)c2cc3c(F)ccc(F)c3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MPI P34949 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 1/20 0.41
HSD17B1 P14061 5/20 0.39
HSD17B2 P37059 5/20 0.39
DAO P14920 2/20 0.35
DDO Q99489 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
APP P05067 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 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
SCHEMBL11281349 0.82 IDO1 (0.56) CA3CA6CA5ACA14CA5B
SCHEMBL29507259 0.82 IDO1 (0.56) CA3CA6CA5ACA14CA5B
SCHEMBL12804347 0.80 CA3 (0.56) CA3CA6CA5ACA9CA14
SCHEMBL27656034 0.77 HSD17B1 (0.53) KDM4EMPIL3MBTL1HSD17B1HSD17B2
SCHEMBL484933 0.76 IDO1 (0.68) KDM4EMPIL3MBTL1IDO1TSHR
SCHEMBL31540836 0.76 IDO1 (0.68) KDM4EMPIL3MBTL1IDO1TSHR
SCHEMBL29388776 0.76 IDO1 (0.68) KDM4EMPIL3MBTL1IDO1TSHR
SCHEMBL16494696 0.73 KDM4E (0.53) CA3CA6CA5ACA9CA14
SCHEMBL7555229 0.70 MAPT (0.39) CA3CA6CA5ACA9CA14
SCHEMBL7555113 0.70 MAPT (0.39) CA3CA6CA5ACA9CA14

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-20070161808-A1 Process for the preparation of aq4n KUDOS PHARMACEUTICALS LIMITED (GB) 2007-07-12 US disclosed
EP-1732881-A2 PROCESS FOR THE PREPARATION OF AQ4N Kudos Pharmaceuticals Limited (GB) 2006-12-20 EP disclosed
WO-2005080314-A2 PROCESS FOR THE PREPARATION OF AQ4N KUDOS PHARMACEUTICALS LIMITED (GB) 2005-09-01 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-20070161808-A1 Process for the preparation of aq4n AQP1, AQP4, AQP3 CA3 1162/4885CA6 631/4885CA5A 314/4885

“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.