SCHEMBL4526075

SCHEMBL4526075

COc1ccccc1-c1cccc(-c2nc(N)oc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTR7 P34969 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
GAA P10253 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
SCHEMBL4518811 0.82 SMN1; SMN2 (0.47) DHFRALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL4527722 0.80 NR4A2 (0.50) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL26556078 0.76 HTR7 (0.64) ALDH1A1SMN1; SMN2HTR7KDM4ELMNA
SCHEMBL29629017 0.76 HTR7 (0.64) ALDH1A1SMN1; SMN2HTR7KDM4ELMNA
SCHEMBL4524495 0.76 RAB9A (0.47) ALDH1A1SMN1; SMN2HPGDNPC1TP53
SCHEMBL13963165 0.75 MAP4K4 (0.46) DHFRHTR7PIK3R1PIK3CAMAP4K4
SCHEMBL4529082 0.73 RAB9A (0.45) ALDH1A1SMN1; SMN2HPGDNPC1TP53
SCHEMBL7711745 0.72 HSD17B10 (0.54) DHFRALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1039794 0.72 HTR7 (0.55) DHFRALDH1A1HSD17B10HTR7MAP4K4
SCHEMBL28619654 0.72 IKBKB (0.48) ALDH1A1SMN1; SMN2HPGDNPC1TP53

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 DHFR 1058/4885ALDH1A1 1363/4885SMN1; SMN2 2157/4885

“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.