SCHEMBL5014378

SCHEMBL5014378

O=C(c1ccnc(-c2ccc(Br)s2)c1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
GLA P06280 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43

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
SCHEMBL5014018 0.88 HPGD (0.52) KMT2ATSHRHPGDKDM4EMEN1
SCHEMBL12423131 0.82 CCNT1 (0.66) KMT2AL3MBTL1TSHRMEN1CCNT1
SCHEMBL5012763 0.80 SMN1; SMN2 (0.59) KMT2AL3MBTL1SMN1; SMN2TSHRHPGD
SCHEMBL12423541 0.78 IKBKB (0.58) KMT2AMEN1CCNT1CDK1CCNB1
SCHEMBL3295635 0.78 PKM (0.55) KMT2AGLAPKML3MBTL1SMN1; SMN2
SCHEMBL18175986 0.76 PKM (0.55) PKML3MBTL1SMN1; SMN2HPGDKDM4E
SCHEMBL5014387 0.75 ERN1 (0.47) KMT2APKML3MBTL1SMN1; SMN2HPGD
SCHEMBL17689077 0.73 HPGD (0.60) KMT2AGLAPKML3MBTL1SMN1; SMN2
SCHEMBL3249195 0.73 PKM (0.63) KMT2APKML3MBTL1SMN1; SMN2HPGD
SCHEMBL12423479 0.72 CCNT1 (0.48) CCNT1CDK1CCNB1CCNA2CDK2

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 KMT2A 1975/4885GLA 1818/4885PKM 4756/4885

“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.