SCHEMBL5016147

SCHEMBL5016147

CCC(=O)Nc1cccc(-c2ccc(Br)s2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
NQO2 P16083 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 4/20 0.52
POLB P06746 1/20 0.52
NR4A1 P22736 1/20 0.52
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
PTPN1 P18031 1/20 0.51
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
F2R P25116 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TP53 P04637 2/20 0.48
MAP4K4 O95819 1/20 0.48

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
SCHEMBL5016071 0.85 NQO2 (0.76) GAANQO2RAB9APOLBKMT2A
SCHEMBL8404715 0.76 L3MBTL1 (0.67) GAACYP3A4CYP2D6CYP2C19RAB9A
SCHEMBL10970617 0.75 RAB9A (0.85) GAACYP3A4CYP2D6CYP2C19RAB9A
SCHEMBL5690831 0.75 GAA (1.00) GAARAB9APOLBNR4A1KMT2A
SCHEMBL10294099 0.73 RAB9A (0.70) GAACYP3A4CYP2D6CYP2C19RAB9A
SCHEMBL11182466 0.71 CYP3A4 (0.63) GAACYP3A4CYP2D6CYP2C19RAB9A
SCHEMBL7932532 0.71 POLB (0.72) GAACYP3A4CYP2D6CYP2C19RAB9A
SCHEMBL12923167 0.71 CYP1A2 (0.69) GAANQO2RAB9AKMT2ASMN1; SMN2
SCHEMBL14384393 0.70 NQO2 (0.76) GAANQO2RAB9APOLBNR4A1
SCHEMBL8644515 0.70 MTNR1B (0.68) CYP3A4CYP2D6CYP2C19RAB9APOLB

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 6 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
CN-101124232-A Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2008-02-13 CN 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 GAA 3969/4885NQO2 957/4885CYP3A4 1098/4885

“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.