SCHEMBL3328110

SCHEMBL3328110

O=C(Nc1cc(Cl)ccc1S(=O)(=O)O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPT P10636 4/20 0.47
DDR1 Q08345 2/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
RAB9A P51151 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
DGAT1 O75907 1/20 0.38
TMPRSS4 Q9NRS4 2/20 0.38
NPC1 O15118 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3324442 0.91 MCHR1 (0.48) MCHR1KDM4EMAPTRAB9ACYP1A2
SCHEMBL3627202 0.84 MCHR1 (0.52) MCHR1KDM4EMAPTGRIK1RAB9A
SCHEMBL3328403 0.84 MCHR1 (0.52) MCHR1KDM4EMAPTGRIK1RAB9A
SCHEMBL3327206 0.81 MAPT (0.50) MCHR1KDM4EMAPTDDR1RAB9A
SCHEMBL3329365 0.79 MCHR1 (0.48) MCHR1KDM4EMAPTGRIK1RAB9A
SCHEMBL3326707 0.77 KDM4E (0.50) MCHR1KDM4EMAPTRAB9ADGAT1
SCHEMBL898265 0.77 P2RX1 (0.57) MCHR1KDM4EMAPTTMPRSS4MEN1
SCHEMBL14927284 0.77 KDM4E (0.55) MCHR1KDM4EMAPTRAB9ADGAT1
SCHEMBL14927282 0.76 KDM4E (0.57) MCHR1KDM4EMAPTRAB9ADGAT1
SCHEMBL313321 0.76 MAPT (0.57) MCHR1KDM4EMAPTRAB9ADGAT1

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 MCHR1 2202/4885KDM4E 711/4885MAPT 2658/4885

“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.