SCHEMBL4537136

SCHEMBL4537136

Nc1ncc(-c2cccc(-c3cccnc3)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
PSIP1 O75475 1/20 0.56
AXL P30530 1/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2A6 P11509 6/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.46
CYP2E1 P05181 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2B6 P20813 2/20 0.45
CYP2C19 P33261 2/20 0.45

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
SCHEMBL15083065 0.89 ALDH1A1 (0.57) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL4528767 0.83 RAB9A (0.47) MEN1ALDH1A1KDM4EHPGDNPC1
SCHEMBL4534870 0.79 KDR (0.47) MEN1ALDH1A1KDM4EHPGDNPC1
SCHEMBL4539660 0.79 HSD17B1 (0.55) MEN1ALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL14650182 0.78 MAP4K4 (0.54) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL4530786 0.78 RAB9A (0.41) MEN1ALDH1A1KDM4EHPGDNPC1
SCHEMBL4534098 0.78 RAB9A (0.44) MEN1ALDH1A1KDM4EHPGDNPC1
SCHEMBL12103445 0.77 CYP2A6 (0.79) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL30620885 0.77 CYP2A6 (0.79) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL17951830 0.77 CYP2A6 (0.79) MEN1PSIP1AXLMKNK1MKNK2

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 MEN1 3047/4885PSIP1 2073/4885AXL 3246/4885

“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.