SCHEMBL4303906

SCHEMBL4303906

O=C(Cc1ccc2cc[nH]c2c1)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.58
EPHX2 P34913 4/20 0.52
MAOB P27338 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
STS P08842 1/20 0.47
HPGD P15428 1/20 0.46
CACNA1H O95180 2/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BRAF P15056 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL3400722 0.91 MAOB (0.58) NLRP3EPHX2MAOBKMT2AMEN1
SCHEMBL3404659 0.88 MAOB (0.55) NLRP3EPHX2MAOBKMT2AMEN1
SCHEMBL4296129 0.87 NLRP3 (0.56) NLRP3EPHX2MAOBKMT2AMEN1
SCHEMBL3401571 0.85 NLRP3 (0.62) NLRP3MAOBKMT2AMEN1SMN1; SMN2
SCHEMBL3403794 0.84 CACNA1H (0.51) NLRP3CCNA2CDK2CCNA1CACNA1H
SCHEMBL3430468 0.84 NLRP3 (0.53) NLRP3EPHX2MAOBKMT2AMEN1
SCHEMBL3425797 0.83 NLRP3 (0.60) NLRP3MAOBKMT2AMEN1SMN1; SMN2
SCHEMBL4300611 0.82 NLRP3 (0.58) NLRP3MAOBKMT2ASMN1; SMN2CACNA1H
SCHEMBL3428042 0.82 NLRP3 (0.58) NLRP3MAOBSMN1; SMN2HPGDCACNA1H
SCHEMBL3882526 0.80 NLRP3 (0.46) NLRP3EPHX2KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP claimed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US claimed
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 NLRP3 1117/4885EPHX2 3581/4885MAOB 2525/4885

“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.