SCHEMBL4528767

SCHEMBL4528767

Nc1ncc(-c2cccc(-c3ccccc3)c2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
KMT2A Q03164 1/20 0.47
NOTUM Q6P988 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
MAOA P21397 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KDR P35968 4/20 0.41
FLT1 P17948 3/20 0.41
FLT4 P35916 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
FAAH O00519 1/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL4534098 0.87 RAB9A (0.44) RAB9AMEN1MITFKMT2AALOX15
SCHEMBL2854988 0.87 RAB9A (0.59) RAB9AMEN1MITFKMT2ANOTUM
SCHEMBL4534870 0.85 KDR (0.47) RAB9AMEN1KMT2ANOTUMTSHR
SCHEMBL4539660 0.85 HSD17B1 (0.55) MEN1KMT2AFAAHALDH1A1HPGD
SCHEMBL14650182 0.84 MAP4K4 (0.54) RAB9AMEN1MITFKMT2AMAOA
SCHEMBL4530786 0.83 RAB9A (0.41) RAB9AMEN1MITFKMT2AKDR
SCHEMBL4537136 0.83 MEN1 (0.56) RAB9AMEN1KDRFLT1FLT4
SCHEMBL4535226 0.83 CYP17A1 (0.39) RAB9AMEN1MITFKMT2ANOTUM
SCHEMBL4537426 0.81 RAB9A (0.54) RAB9AMEN1MITFKMT2ANOTUM
SCHEMBL4532640 0.81 RXRA (0.40) RAB9AMEN1MITFKMT2ANOTUM

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 RAB9A 1024/4885MEN1 3047/4885MITF 3094/4885

“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.