SCHEMBL4837463

SCHEMBL4837463

CCOc1ccc2ccccc2c1-c1coc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
ALOX5 P09917 1/20 0.48
ENPP1 P22413 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 1/20 0.40
TLR8 Q9NR97 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
ENPP3 O14638 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
G6PD P11413 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL4837388 0.85 MEN1 (0.60) MEN1KMT2ATLR8MAPTALDH1A1
SCHEMBL4837306 0.85 SMN1; SMN2 (0.47) ENPP1MEN1KMT2AMAPTALDH1A1
SCHEMBL4836793 0.82 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL6243227 0.79 DHFR (0.48) DHFRALOX5MEN1KMT2AS1PR1
SCHEMBL4828426 0.79 TSHR (0.43) DHFRENPP1MEN1KMT2AMAPT
SCHEMBL2045141 0.78 ALOX5 (0.65) DHFRALOX5S1PR1S1PR3MAPT
SCHEMBL30142113 0.78 ALOX5 (0.65) DHFRALOX5S1PR1S1PR3MAPT
SCHEMBL15075980 0.77 MEN1 (0.73) DHFRALOX5MEN1KMT2AS1PR1
SCHEMBL4529628 0.76 DHFR (0.48) DHFRALOX5MEN1KMT2AS1PR1
SCHEMBL1807920 0.75 NCEH1 (0.53) DHFRALOX5KMT2ATLR8MAPT

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 9 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
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US 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 (2 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-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B DHFR 265/4885ALOX5 416/4885ENPP1 2202/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C DHFR 509/4885ALOX5 605/4885ENPP1 2253/4885

“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.