SCHEMBL4537426

SCHEMBL4537426

Nc1ncc(-c2cccc(-c3ccccc3Cl)c2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
ATM Q13315 1/20 0.54
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
SCN9A Q15858 1/20 0.42
USP7 Q93009 1/20 0.42
CYP2A6 P11509 1/20 0.42
BACE1 P56817 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
TRPA1 O75762 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 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
SCHEMBL30779208 0.82 NPC1 (0.51) RAB9ANPC1ATMUSP7MEN1
SCHEMBL21821209 0.82 NPC1 (0.51) RAB9ANPC1ATMUSP7MEN1
SCHEMBL4528767 0.81 RAB9A (0.47) RAB9ANPC1ATMFLT1FLT4
SCHEMBL20243152 0.80 VCP (0.52) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL13963165 0.79 MAP4K4 (0.46) FLT1FLT4KDRALOX5APFEN1
SCHEMBL14650182 0.76 MAP4K4 (0.54) RAB9ANPC1MEN1MITFKMT2A
SCHEMBL2854988 0.75 RAB9A (0.59) RAB9ANPC1ATMFLT1FLT4
SCHEMBL9479255 0.75 CYP2A6 (0.71) RAB9ANPC1SCN9ACYP2A6BACE1
SCHEMBL29628996 0.75 CYP2A6 (0.71) RAB9ANPC1SCN9ACYP2A6BACE1
SCHEMBL4539660 0.74 HSD17B1 (0.55) MEN1KMT2AHPGDADORA1MAPT

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 1024/4885NPC1 2993/4885ATM 4075/4885

“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.