SCHEMBL5014381

SCHEMBL5014381

O=C(c1cccc(-c2cccs2)n1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
PLAUR Q03405 6/20 0.52
HTR2C P28335 4/20 0.51
RIPK1 Q13546 1/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 3/20 0.49
TP53 P04637 1/20 0.49
ERN1 O75460 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5014392 0.88 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL12753356 0.82 HSD11B1 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL5014387 0.81 ERN1 (0.47) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL4122541 0.79 RAB9A (0.52) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL30149935 0.79 RAB9A (0.52) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL4278767 0.78 RAB9A (1.00) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL2932828 0.76 KDM4E (0.61) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL5012763 0.76 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9APLAURRIPK1
SCHEMBL7126957 0.75 HTR2C (0.44) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL2972148 0.74 KDM4E (0.63) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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 SMN1; SMN2 1210/4885NPC1 1159/4885RAB9A 1451/4885

“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.