SCHEMBL3401571

SCHEMBL3401571

COc1ccc(NC(=O)Cc2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 1/20 0.59
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MAOB P27338 2/20 0.53
ESR1 P03372 1/20 0.52
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
MAOA P21397 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL3399194 0.90 MAOB (0.62) NLRP3SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3425797 0.88 NLRP3 (0.60) NLRP3SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL4300611 0.87 NLRP3 (0.58) NLRP3SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3428042 0.87 NLRP3 (0.58) NLRP3SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL4303906 0.85 NLRP3 (0.58) NLRP3SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL27803480 0.83 NLRP3 (0.62) NLRP3SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL4304380 0.83 SMN1; SMN2 (0.64) NLRP3SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3400791 0.83 NLRP3 (0.51) NLRP3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4296129 0.83 NLRP3 (0.56) NLRP3SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL4298458 0.81 NLRP3 (0.67) NLRP3SMN1; SMN2LMNAALDH1A1MAPT

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 12 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
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO 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
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 NLRP3 1117/4885SMN1; SMN2 960/4885LMNA 4181/4885

“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.