SCHEMBL4301565

SCHEMBL4301565

CC(C)Oc1ccc(NC(=O)Cc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
HDAC1 Q13547 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
NLRP3 Q96P20 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KMT2A Q03164 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOTUM Q6P988 1/20 0.46
MAOA P21397 3/20 0.46
GLA P06280 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
CACNA1H O95180 2/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
RORC P51449 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL4300611 0.91 NLRP3 (0.58) MAOBHDAC1MAPTALDH1A1LMNA
SCHEMBL3399194 0.87 MAOB (0.62) MAOBHDAC1MAPTALDH1A1LMNA
SCHEMBL3398524 0.85 MAOB (0.60) MAOBHDAC1MAPTALDH1A1LMNA
SCHEMBL3430120 0.85 MAOB (0.54) MAOBHDAC1MAPTLMNANLRP3
SCHEMBL27824358 0.85 MAOB (0.65) MAOBHDAC1NLRP3HDAC8KMT2A
SCHEMBL3400033 0.84 CACNA1H (0.48) MAOBHDAC1NLRP3HDAC8MAOA
SCHEMBL3427670 0.83 MAOB (0.57) MAOBHDAC1MAPTLMNANLRP3
SCHEMBL3404646 0.83 MAOB (0.60) MAOBHDAC1MAPTALDH1A1NLRP3
SCHEMBL3403236 0.82 MAOB (0.65) MAOBHDAC1MAPTALDH1A1LMNA
SCHEMBL3400722 0.82 MAOB (0.58) MAOBHDAC1MAPTNLRP3HDAC8

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
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
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
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 MAOB 2525/4885HDAC1 653/4885MAPT 807/4885

“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.