SCHEMBL4539598

SCHEMBL4539598

Nc1nc(-c2cccc(Br)c2)co1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
HK1 P19367 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.44
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LTA4H P09960 1/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 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
SCHEMBL14564374 0.81 ENPP3 (0.45) RAB9AMAPTALDH1A1HPGDMEN1
SCHEMBL17548467 0.78 LTA4H (0.56) RAB9AMAPTALDH1A1HPGDMEN1
SCHEMBL17336646 0.78 RAB9A (0.56) RAB9AMAPTALDH1A1HPGDHK1
SCHEMBL8119166 0.77 LTA4H (0.54) RAB9AMAPTALDH1A1HPGDMEN1
SCHEMBL29614873 0.76 XDH (0.52) IDO1ADORA2AADORA1GRM5
SCHEMBL20051812 0.76 XDH (0.52) IDO1ADORA2AADORA1GRM5
SCHEMBL6238840 0.76 XDH (0.52) RAB9AALDH1A1IDO1NPC1KDM4E
SCHEMBL29334167 0.75 LTA4H (0.49) LTA4HADORA2AADORA1
SCHEMBL4831635 0.74 CYP1A2 (0.56) RAB9AMAPTALDH1A1HPGDMEN1
SCHEMBL8123496 0.73 MAPT (0.51) RAB9AMAPTALDH1A1MEN1KMT2A

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
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 1024/4885MAPT 2855/4885ALDH1A1 1363/4885

“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.