SCHEMBL4519681

SCHEMBL4519681

COc1ccc2ccccc2c1-c1c[nH]c(NC(C)=O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
NISCH Q9Y2I1 1/20 0.43
ADORA3 P0DMS8 4/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL4527836 0.87 ALOX5 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4539556 0.85 BRD4 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4518902 0.84 KMT2A (0.41) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4535133 0.83 ADORA3 (0.43) MEN1KMT2AMTNR1AMTNR1BADORA3
SCHEMBL4519311 0.81 KDM4E (0.43) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL4532924 0.78 HTR6 (0.51) MAPTMTNR1AMTNR1BNISCHFGFR1
SCHEMBL4524390 0.77 ALOX15 (0.46) MEN1KMT2AALDH1A1FGFR1FGFR2
SCHEMBL4834374 0.76 MAPT (0.49) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL4530947 0.76 MEN1 (0.60) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL27778777 0.73 ADORA3 (0.41) MEN1KMT2AADORA3ALDH1A1FGFR1

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 MAPT 2855/4885MEN1 3047/4885KMT2A 2279/4885

“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.