SCHEMBL4535133

SCHEMBL4535133

COc1ccc(-c2c[nH]c(NC(C)=O)n2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43
FGFR1 P11362 2/20 0.42
FGFR2 P21802 2/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
PLK1 P53350 1/20 0.41
PDGFRB P09619 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL4519311 0.83 KDM4E (0.43) ADORA3FGFR1FGFR2PDGFRBALDH1A1
SCHEMBL4519681 0.83 MAPT (0.49) ADORA3HSD17B10ALOX15FGFR1FGFR2
SCHEMBL27778777 0.82 ADORA3 (0.41) ADORA3HSD17B10ALOX15FGFR1FGFR2
SCHEMBL4526891 0.82 ADORA3 (0.40) ADORA3HSD17B10ALOX15FGFR1FGFR2
SCHEMBL4524390 0.82 ALOX15 (0.46) ALOX15FGFR1FGFR2PDGFRBALDH1A1
SCHEMBL4519691 0.77 RXFP1 (0.44) HSD17B10FGFR1FGFR2ALDH1A1MEN1
SCHEMBL13513576 0.76 MTNR1A (0.46) ADORA3HSD17B10PDGFRBALDH1A1NPC1
SCHEMBL24107438 0.75 HSP90AA1 (0.46) HSD17B10ALOX15PDGFRBALDH1A1MEN1
SCHEMBL4539798 0.75 ADORA3 (0.47) ADORA3HSD17B10ALOX15FGFR1FGFR2
SCHEMBL4535219 0.74 IDO1 (0.49) HSD17B10ALOX15PDGFRBMEN1KMT2A

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 ADORA3 36/4885HSD17B10 1974/4885ALOX15 1512/4885

“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.