SCHEMBL4297980

SCHEMBL4297980

O=C(Cc1ccc2cc[nH]c2c1)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
LTA4H P09960 1/20 0.49
HTR2C P28335 1/20 0.49
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
NOTUM Q6P988 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 1/20 0.46
MAOB P27338 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 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
SCHEMBL3428012 0.92 MAOB (0.53) NLRP3KMT2AMEN1NPC1LMNA
SCHEMBL3426825 0.90 NLRP3 (0.51) NLRP3KMT2AMEN1NPC1LMNA
SCHEMBL4304380 0.85 SMN1; SMN2 (0.64) NLRP3KMT2AMEN1NPC1LMNA
SCHEMBL3404631 0.85 NLRP3 (0.55) NLRP3KMT2AMEN1NPC1LMNA
SCHEMBL3427915 0.84 NLRP3 (0.54) NLRP3KMT2AMEN1NPC1LMNA
SCHEMBL3404448 0.84 NLRP3 (0.54) NLRP3KMT2AMEN1NPC1LMNA
SCHEMBL3430468 0.83 NLRP3 (0.53) NLRP3KMT2AMEN1NPC1LMNA
SCHEMBL3400928 0.82 WNT3A (0.60) NLRP3HDAC3HDAC1HDAC4HDAC8
SCHEMBL3430179 0.82 MAOB (0.51) NLRP3KMT2AMEN1NPC1LMNA
SCHEMBL3399234 0.82 MAOB (0.56) NLRP3KMT2AMEN1NPC1LMNA

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 1117/4885KMT2A 1090/4885MEN1 4147/4885

“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.