SCHEMBL4522905

SCHEMBL4522905

CS(=O)(=O)c1nccc(Nc2ccc(I)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
AURKA O14965 4/20 0.41
AURKB Q96GD4 1/20 0.41
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL30514128 0.75 KCNH2 (0.57) ROCK1CA1CA2CA12CA9
SCHEMBL12890046 0.75 BPTF (0.49) ROCK1AURKAAURKBLMNAMAPT
SCHEMBL22971360 0.73 MAPK1 (0.38) ROCK1AURKAAURKBKMT2ANPC1
SCHEMBL13963140 0.72 ROCK1 (0.69) ROCK1CA1CA2CA12CA6
SCHEMBL28157929 0.72 BPTF (0.36) ROCK1CA1CA2CA12CA9
SCHEMBL13963139 0.72 ROCK1 (0.51) ROCK1AURKAMEN1LMNAKMT2A
SCHEMBL12890470 0.71 DYRK1A (0.38) ROCK1CA1CA2CA9
SCHEMBL22471636 0.71 PARP1 (0.37) LMNANPC1MAPTMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL4519675 0.71 ROCK1 (0.50) ROCK1AURKAMEN1LMNAKMT2A
SCHEMBL31656137 0.70 ROCK1 (0.76) ROCK1CA1CA2CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B ROCK1 3448/4885CA1 3198/4885CA2 1713/4885

“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.