SCHEMBL4524356

SCHEMBL4524356

Nc1ncc(-c2cccc(-c3cccc(C(F)(F)F)c3)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
IDO1 P14902 1/20 0.46
MAPK1 P28482 2/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 1/20 0.45
BRD4 O60885 1/20 0.45
SCN2A Q99250 2/20 0.44
ATR Q13535 1/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SLC9A1 P19634 1/20 0.43
NOTUM Q6P988 2/20 0.43
PARP1 P09874 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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 0.81 RAB9A (0.47) GAARAB9ANOTUMTSHRALDH1A1
SCHEMBL22925568 0.79 KIF11 (0.48) RAB9AHDAC1HDAC6NOTUMIKBKB
SCHEMBL4534098 0.79 RAB9A (0.44) ADORA1RAB9ATSHRALDH1A1MAOB
SCHEMBL2404753 0.79 GAA (0.47) IDO1MAPK1GAARAB9ABRD4
SCHEMBL22570675 0.78 HDAC1 (0.47) IDO1MAPK1GAARAB9ASCN2A
SCHEMBL4539660 0.77 HSD17B1 (0.55) ADORA1PARP1ALDH1A1
SCHEMBL4534870 0.77 KDR (0.47) ADORA1IDO1MAPK1RAB9AATR
SCHEMBL20242220 0.76 TAAR1 (0.46) IDO1SLC9A1NOTUM
SCHEMBL30370526 0.76 HDAC1 (0.56) HDAC1HDAC6SLC9A1PARP1ALDH1A1
SCHEMBL14650182 0.76 MAP4K4 (0.54) RAB9AALDH1A1

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 ADORA2A 27/4885ADORA1 49/4885IDO1 660/4885

“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.