SCHEMBL5014018

SCHEMBL5014018

O=C(c1ccnc(-c2ccc(Br)s2)c1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
IKBKG Q9Y6K9 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL5014378 0.88 KMT2A (0.46) HPGDPOLBTSHRMEN1KMT2A
SCHEMBL5012797 0.78 HPGD (0.54) HPGDALDH1A1TP53MEN1GAA
SCHEMBL5014449 0.76 HPGD (0.58) HPGDPOLBALDH1A1TSHRTP53
SCHEMBL14858253 0.73 HPGD (0.62) HPGDALDH1A1MEN1GAAHTT
SCHEMBL5014405 0.73 GNE (0.55) HPGDPOLBALDH1A1TP53RECQL
SCHEMBL5338061 0.72 HPGD (0.65) HPGDALDH1A1TSHRRECQLKDM4E
SCHEMBL15445063 0.70 SIGMAR1 (0.64) HPGDKDM4E
SCHEMBL939096 0.70 PROKR1 (0.63) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL34463093 0.70 HPGD (0.58) HPGDPOLBALDH1A1TSHRRECQL
SCHEMBL14872336 0.70 PROKR1 (0.63) HPGDALDH1A1TSHRKMT2A

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-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1831231-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065209-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 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-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNA2, CHRNB1 HPGD 1807/4885POLB 4567/4885ALDH1A1 577/4885

“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.