SCHEMBL4533430

SCHEMBL4533430

COc1ccc(Br)cc1-c1cnc(N)o1

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
SLC9A1 P19634 1/20 0.48
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
GFER P55789 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AMY1A P0DUB6 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4539470 0.79 FYN (0.47) NPC1RAB9AMAPT
SCHEMBL4522595 0.79 MAP4K4 (0.49) NPC1TSHRRAB9AALDH1A1LMNA
SCHEMBL6242919 0.75 IDO1 (0.49) GAAPOLBNPC1TSHRRAB9A
SCHEMBL23292553 0.75 GAA (0.54) MGAMGAASIMGAM2SLC9A1
SCHEMBL15618319 0.74 MGAM (0.52) MGAMGAASIMGAM2POLB
SCHEMBL30622680 0.74 PDE4A (0.59) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL4530936 0.73 MGAM (0.49) MGAMGAASIMGAM2SLC9A1
SCHEMBL14125145 0.73 GAA (0.56) MGAMGAASIMGAM2SLC9A1
SCHEMBL157353 0.72 CA12 (0.45) POLBLMNAMAPTSMN1; SMN2VCP
SCHEMBL7105387 0.71 NPC1 (0.49) MGAMGAASIMGAM2SLC9A1

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 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.