SCHEMBL3428012

SCHEMBL3428012

O=C(Cc1ccc2[nH]ccc2c1)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 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
NLRP3 Q96P20 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
CACNA1H O95180 1/20 0.44

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
SCHEMBL4297980 0.92 NLRP3 (0.55) MAOBMEN1KMT2ANPC1LMNA
SCHEMBL3430179 0.90 MAOB (0.51) MAOBMEN1KMT2ANPC1LMNA
SCHEMBL3399234 0.90 MAOB (0.56) MAOBMEN1KMT2ANPC1LMNA
SCHEMBL3400379 0.90 MAOB (0.53) MAOBMEN1KMT2ANPC1LMNA
SCHEMBL3427692 0.88 MAOB (0.48) MAOBMEN1KMT2AHDAC3HDAC1
SCHEMBL3404646 0.86 MAOB (0.60) MAOBMEN1KMT2ANPC1LTA4H
SCHEMBL3429088 0.85 SMN1; SMN2 (0.64) MAOBMEN1KMT2ANPC1LMNA
SCHEMBL4293837 0.85 MAOB (0.55) MAOBMEN1KMT2ANPC1LMNA
SCHEMBL3430120 0.84 MAOB (0.54) MAOBMEN1KMT2ANPC1LMNA
SCHEMBL4302492 0.83 MAOB (0.53) MAOBMEN1KMT2ANPC1LMNA

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 10 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
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 MAOB 2525/4885MEN1 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.