SCHEMBL4837306

SCHEMBL4837306

Nc1nc(-c2c(OCc3ccccc3)ccc3ccccc23)co1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MPO P05164 1/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
PTGS2 P35354 1/20 0.37
MYB P10242 1/20 0.37

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
SCHEMBL4837463 0.85 DHFR (0.48) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL4837388 0.80 MEN1 (0.60) SMN1; SMN2RAB9AMAPTHPGDMEN1
SCHEMBL6241731 0.80 NPC1 (0.50) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL4836793 0.78 MEN1 (0.41) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL10822484 0.76 NPC1 (0.51) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL4078645 0.76 NPC1 (0.60) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL30719008 0.75 NPC1 (0.59) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL4828426 0.74 TSHR (0.43) MAPTL3MBTL1LMNAHPGDMEN1
SCHEMBL19608997 0.73 MAPT (0.54) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL6622391 0.73 MEN1 (0.35) MAPTL3MBTL1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 US disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 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-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C SMN1; SMN2 3454/4885NPC1 1529/4885RAB9A 1771/4885

“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.