SCHEMBL4529628

SCHEMBL4529628

CCOc1ccc2ccccc2c1-c1c[nH]c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
ALOX5 P09917 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TLR8 Q9NR97 1/20 0.40
MAPT P10636 1/20 0.40
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
S1PR1 P21453 2/20 0.38
HPGD P15428 1/20 0.38
S1PR3 Q99500 1/20 0.38
LMNA P02545 1/20 0.37
PDGFRB P09619 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4530947 0.85 MEN1 (0.60) MEN1KMT2AMAPTCCNT1CCNA2
SCHEMBL2045141 0.78 ALOX5 (0.65) DHFRALOX5MAPTALDH1A1MAPK1
SCHEMBL30142113 0.78 ALOX5 (0.65) DHFRALOX5MAPTALDH1A1MAPK1
SCHEMBL4527836 0.77 ALOX5 (0.45) DHFRALOX5MEN1KMT2AALDH1A1
SCHEMBL15075980 0.77 MEN1 (0.73) DHFRALOX5MEN1KMT2ATLR8
SCHEMBL4837463 0.76 DHFR (0.48) DHFRALOX5MEN1KMT2ATLR8
SCHEMBL3941512 0.74 DHFR (0.55) DHFRALOX5MEN1KMT2ATLR8
SCHEMBL19626757 0.72 MEN1 (0.54) DHFRALOX5MEN1KMT2AMAPT
SCHEMBL17626122 0.72 ALOX5 (0.49) DHFRALOX5MEN1KMT2AMAPT
SCHEMBL1807920 0.72 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 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 1058/4885ALOX5 810/4885MEN1 3047/4885

“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.