SCHEMBL4304380

SCHEMBL4304380

COc1ccc(NC(=O)Cc2ccc3cc[nH]c3c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
LMNA P02545 3/20 0.59
NPC1 O15118 1/20 0.59
PKM P14618 1/20 0.59
NLRP3 Q96P20 1/20 0.56
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.52
PABPC1 P11940 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ENPP1 P22413 1/20 0.48
ABL1 P00519 1/20 0.48
NOTUM Q6P988 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CACNA1H O95180 1/20 0.46
WNT3A P56704 1/20 0.46

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
SCHEMBL3429088 0.91 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL3404631 0.90 NLRP3 (0.55) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL3427915 0.89 NLRP3 (0.54) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL3404448 0.89 NLRP3 (0.54) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL3430468 0.86 NLRP3 (0.53) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL3426825 0.86 NLRP3 (0.51) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL3430896 0.85 NLRP3 (0.53) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL4297980 0.85 NLRP3 (0.55) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL3401571 0.83 NLRP3 (0.62) SMN1; SMN2MEN1KMT2ALMNANLRP3
SCHEMBL3423405 0.82 NLRP3 (0.53) SMN1; SMN2LMNANLRP3KDM4EABL1

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 SMN1; SMN2 960/4885MEN1 4147/4885KMT2A 1090/4885

“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.