SCHEMBL5114233

SCHEMBL5114233

N=C(NO)c1ccc(Br)o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
HPGD P15428 7/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL4586842 0.76 KLK7 (0.46) ALDH1A1HPGDTDP1LMNAHSD17B10
SCHEMBL24470352 0.74 ALDH1A1 (0.46) ALDH1A1HPGDLMNAKDM4EHSD17B10
SCHEMBL399205 0.74 ALDH1A1 (0.46) ALDH1A1HPGDTDP1LMNAKDM4E
SCHEMBL3540163 0.74 TDP1 (0.48) ALDH1A1HPGDTDP1KDM4EHSD17B10
SCHEMBL4587988 0.69 LMNA (0.49) ALDH1A1HPGDTDP1LMNAKDM4E
SCHEMBL3508193 0.69 NQO2 (0.47) ALDH1A1HPGDTDP1LMNAKDM4E
SCHEMBL394063 0.67 NQO2 (0.46) ALDH1A1HPGDTDP1LMNAKDM4E
SCHEMBL7320772 0.67 ALDH1A1 (0.53) ALDH1A1HPGDLMNAKDM4EHSD17B10
SCHEMBL3504817 0.66 NQO2 (0.49) ALDH1A1HPGDTDP1LMNAKDM4E
SCHEMBL2112079 0.65 ALDH1A1 (0.69) ALDH1A1HPGDTDP1LMNAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
CN-101119994-A Nicotinic acetycholine receptor ligands ASTRAZENECA AB (SE) 2008-02-06 CN disclosed
EP-1831212-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065217-A1 NICOTINIC ACETYCHOLINE 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-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands CHRNG, CHRNE, CHRNA1 ALDH1A1 1028/4885HPGD 669/4885TDP1 2754/4885

“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.