SCHEMBL4539660

SCHEMBL4539660

Nc1ncc(-c2cccc(-c3cccc(O)c3)c2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.55
HSD17B2 P37059 9/20 0.55
CYP3A4 P08684 4/20 0.46
CYP2C9 P11712 3/20 0.46
FAAH O00519 1/20 0.44
TNKS O95271 2/20 0.43
PARP1 P09874 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP4K4 O95819 1/20 0.43
ADORA1 P30542 1/20 0.42
METAP2 P50579 1/20 0.41
POLH Q9Y253 1/20 0.41
SRC P12931 1/20 0.41
VCP P55072 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 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
SCHEMBL4528767 0.85 RAB9A (0.47) CYP2C9FAAHMEN1ALDH1A1HPGD
SCHEMBL4534870 0.81 KDR (0.47) CYP3A4MEN1ALDH1A1HPGDKMT2A
SCHEMBL14650182 0.80 MAP4K4 (0.54) FAAHMEN1ALDH1A1KMT2AMAP4K4
SCHEMBL4534098 0.79 RAB9A (0.44) HSD17B1HSD17B2CYP2C9FAAHMEN1
SCHEMBL4537136 0.79 MEN1 (0.56) CYP3A4CYP2C9MEN1ALDH1A1HPGD
SCHEMBL4530786 0.79 RAB9A (0.41) FAAHMEN1ALDH1A1HPGDKMT2A
SCHEMBL4539780 0.78 MAP4K4 (0.49) FAAHKMT2AMAP4K4VCP
SCHEMBL13963164 0.77 FLT1 (0.49) FAAHMAP4K4ADORA1PIK3CA
SCHEMBL4532640 0.77 RXRA (0.40) HSD17B1HSD17B2MEN1ALDH1A1KMT2A
SCHEMBL4524356 0.77 ADORA2A (0.46) PARP1ALDH1A1ADORA1

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
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

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 HSD17B1 1277/4885HSD17B2 965/4885CYP3A4 604/4885

“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.