SCHEMBL419043

SCHEMBL419043

CC(=O)Nc1ccc(-c2ccc3nc4n(c3c2)CCN(C(C)C2CC2)CC4)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
ALK Q9UM73 1/20 0.39
WDR5 P61964 1/20 0.38
HPGD P15428 2/20 0.37
PIK3CG P48736 1/20 0.37
MCHR1 Q99705 2/20 0.36
CHEK1 O14757 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK10 P53779 1/20 0.36
MOK Q9UQ07 3/20 0.36

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
SCHEMBL421118 0.93 ALDH1A1 (0.52) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL7886212 0.89 MAPT (0.51) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL7886757 0.81 MAPT (0.58) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL418938 0.81 SPHK1 (0.35) TP53
SCHEMBL422444 0.81 HRH4 (0.35)
SCHEMBL422446 0.79 MAPT (0.52) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL417461 0.76 HTR3A (0.38) MAPTRAB9AMEN1KMT2A
SCHEMBL421001 0.74 ALK (0.42) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL7886078 0.73 MAPT (0.66) MAPTKDM4EALDH1A1TDP1GAA
SCHEMBL7886308 0.72 MAPT (0.59) MAPTKDM4EALDH1A1TDP1GAA

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
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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 (2 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885KDM4E 1889/4885ALDH1A1 2598/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885KDM4E 1889/4885ALDH1A1 2598/4885

“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.