SCHEMBL420460

SCHEMBL420460

Nc1ccc2c(c1)nc1n2CCN(C2=CC=C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 4/20 0.33
RAD52 P43351 1/20 0.33
MAPT P10636 2/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NSD2 O96028 1/20 0.31

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
SCHEMBL421303 0.90 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL420411 0.85 RAB9A (0.40) ALDH1A1MEN1KMT2AMAPK1RAB9A
SCHEMBL422621 0.85 PIK3CA (0.38) ALDH1A1MEN1KMT2AMAPK1RAB9A
SCHEMBL422950 0.81 TP53 (0.45) HSD17B10MAPK1RAB9ATP53MAPT
SCHEMBL417644 0.81 GRM2 (0.38) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL420833 0.81 MEN1 (0.38) MEN1KMT2AMAPK1RAB9ATP53
SCHEMBL418051 0.81 RAB9A (0.38) ALDH1A1MEN1KMT2AMAPK1RAB9A
SCHEMBL420667 0.80 MEN1 (0.36) MEN1KMT2AMAPK1RAB9ATP53
SCHEMBL419693 0.79 MEN1 (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL419623 0.79 MEN1 (0.36) KDM4EMEN1KMT2AMAPK1RAB9A

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 KDM4E 1889/4885ALDH1A1 2598/4885MEN1 1057/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM4E 1889/4885ALDH1A1 2598/4885MEN1 1057/4885

“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.