SCHEMBL4526802

SCHEMBL4526802

Nc1nc(-c2cccc(-c3ccccc3)c2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.47
MAOA P21397 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ASIC3 Q9UHC3 2/20 0.41
AURKA O14965 1/20 0.41
THRB P10828 1/20 0.41
CASP1 P29466 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
KMO O15229 2/20 0.40
GLA P06280 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
SCHEMBL4518438 0.89 XDH (0.54) XDHMAPTKDM4EMEN1ALDH1A1
SCHEMBL395101 0.88 XDH (0.52) XDHMAPTKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL27834553 0.86 XDH (0.50) XDHMAPTKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8715979 0.86 XDH (0.50) XDHMAPTKDM4EMEN1ALDH1A1
Iodide SCHEMBL28431948 0.85 XDH (0.49) XDHMAPTKDM4EMEN1ALDH1A1
SCHEMBL1399835 0.82 MEN1 (0.56) MAPTMEN1ALDH1A1AURKATTK
SCHEMBL12305203 0.80 XDH (0.40) XDHMAPTKDM4EMEN1ALDH1A1
SCHEMBL19471348 0.80 HSD17B1 (0.52) XDH
SCHEMBL1399849 0.80 ALDH1A1 (0.56) XDHMAPTKDM4EMEN1ALDH1A1
Sulfuric Acid SCHEMBL2379724 0.79 XDH (0.47) XDHMAPTKDM4EMEN1ALDH1A1

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 XDH 2339/4885MAOA 97/4885MAPT 2855/4885

“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.