SCHEMBL3328198

SCHEMBL3328198

Nc1cc(Cl)ccc1-c1nc(=O)o[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36
PPOX P50336 1/20 0.36
IDO1 P14902 1/20 0.36
TYMS P04818 1/20 0.35
S100A4 P26447 1/20 0.35
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
GUSB P08236 1/20 0.34
NOTUM Q6P988 1/20 0.33

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
SCHEMBL3328196 0.81 KDM4E (0.43) ALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL28629078 0.73 NOTUM (0.46) TSHRALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL2889340 0.72 GRIK1 (0.47) TSHRALDH1A1CYP3A4ALOX15SMN1; SMN2
SCHEMBL30839752 0.69 ALDH1A1 (0.65) TSHRALDH1A1CYP3A4ALOX15SMN1; SMN2
SCHEMBL27185985 0.69 ALDH1A1 (0.65) TSHRALDH1A1CYP3A4ALOX15SMN1; SMN2
SCHEMBL30839712 0.69 ALDH1A1 (0.65) TSHRALDH1A1CYP3A4ALOX15SMN1; SMN2
SCHEMBL8537063 0.67 NR4A2 (0.43) TSHRALDH1A1CYP3A4ALOX15SMN1; SMN2
SCHEMBL1437113 0.66 PARP1 (0.42) ALDH1A1CYP3A4SMN1; SMN2TDP1TP53
SCHEMBL1308358 0.66 IDO1 (0.41) TSHRALDH1A1CYP3A4ALOX15SMN1; SMN2
SCHEMBL10614807 0.64 ADORA2B (0.57) ALDH1A1CYP3A4TDP1HPGD

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-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US claimed
EP-2148868-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-03 EP claimed
WO-2008138917-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-20 WO claimed
US-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
EP-2148868-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-03 EP disclosed
WO-2008138917-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-20 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-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNH1, KCNJ2, KCNN2 DAO 1197/4885TSHR 2584/4885ALDH1A1 824/4885

“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.