SCHEMBL3328613

SCHEMBL3328613

O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
P2RY14 Q15391 2/20 0.43
NLRP3 Q96P20 1/20 0.42
WNT3A P56704 1/20 0.41
PPARA Q07869 1/20 0.40
CACNA1H O95180 3/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
CSNK1D P48730 2/20 0.40
GSK3B P49841 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDR P35968 1/20 0.39
MAPK8 P45983 1/20 0.39
STS P08842 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL3329456 0.90 CA12 (0.44) CDK2NLRP3GSK3BCA12CA1
SCHEMBL3330052 0.87 CA12 (0.45) WNT3ACA12CA1CA2CA9
SCHEMBL3582672 0.82 DGAT1 (0.42) GSK3BKDRGCGR
SCHEMBL3330362 0.80 LMNA (0.52) CA12CA1CA2CA9
SCHEMBL3325513 0.80 GSK3B (0.39) WNT3APPARAGSK3BMEN1KMT2A
SCHEMBL3579750 0.77 DGAT1 (0.42) PPARAGSK3BKDR
SCHEMBL3329633 0.76 RHOC (0.39) MEN1KMT2A
SCHEMBL3577239 0.76 PSEN1 (0.42) KDR
SCHEMBL17766797 0.74 IDO1 (0.58) CCNA2CDK2CCNA1P2RY14NLRP3
SCHEMBL3580593 0.73 GRIK1 (0.48) CSNK1DKDRMEN1KMT2A

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-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US claimed
EP-2152677-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-17 EP claimed
WO-2008135447-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO claimed
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US 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-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ1, KCNN2 CCNA2 4747/4885CDK2 4109/4885CCNA1 4843/4885

“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.