SCHEMBL4530936

SCHEMBL4530936

COc1ccc(Br)cc1-c1coc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
NPC1 O15118 2/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
AGPAT2 O15120 4/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.42
SLC9A1 P19634 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.42
GFER P55789 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DRD2 P14416 2/20 0.41

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
SCHEMBL23292562 0.75 NPC1 (0.50) MGAMGAASIMGAM2NPC1
SCHEMBL4839997 0.75 IDO1 (0.49) GAANPC1RAB9APOLBLMNA
SCHEMBL5186245 0.74 PDE4A (0.50) NPC1TSHRRAB9AHTTALDH1A1
SCHEMBL4533430 0.73 MGAM (0.49) MGAMGAASIMGAM2NPC1
SCHEMBL4215294 0.73 CDK5 (0.52) MGAMGAASIMGAM2NPC1
SCHEMBL14125145 0.73 GAA (0.56) MGAMGAASIMGAM2NPC1
SCHEMBL3952206 0.72 HSP90AA1 (0.68) MGAMGAASIMGAM2AGPAT2
SCHEMBL9566435 0.72 MGAM (0.54) MGAMGAASIMGAM2NPC1
SCHEMBL23292553 0.72 GAA (0.54) MGAMGAASIMGAM2NPC1
SCHEMBL2952406 0.71 ENPP3 (0.51) NPC1TSHRRAB9APOLBALDH1A1

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 3 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
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 MGAM 3848/4885GAA 3365/4885SI 893/4885

“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.