SCHEMBL420667

SCHEMBL420667

NCc1ccc(-c2ccc3c(c2)nc2n3CCN(C3=CC=C3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 10/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.32
GRM2 Q14416 5/20 0.31
HRH3 Q9Y5N1 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL422759 0.91 NOS3 (0.31) NOS3NOS1NOS2HRH3
SCHEMBL422755 0.83 HRH4 (0.39) MEN1KMT2AMAPK1RAB9AGRM2
SCHEMBL420833 0.82 MEN1 (0.38) MEN1KMT2AMAPK1RAB9ATP53
SCHEMBL420460 0.80 KDM4E (0.38) MEN1KMT2AMAPK1RAB9ATP53
SCHEMBL419623 0.79 MEN1 (0.36) MEN1KMT2AMAPK1RAB9ATP53
SCHEMBL419693 0.79 MEN1 (0.41) MEN1KMT2ARAB9ATP53LMNA
SCHEMBL420999 0.79 NPC1 (0.36) MEN1KMT2AMAPK1RAB9A
SCHEMBL422621 0.78 PIK3CA (0.38) MEN1KMT2AMAPK1RAB9ATP53
SCHEMBL420411 0.78 RAB9A (0.40) MEN1KMT2AMAPK1RAB9ATP53
SCHEMBL420247 0.77 HRH1 (0.40) MEN1KMT2AMAPK1RAB9ATP53

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 MEN1 1057/4885KMT2A 453/4885NOS3 1768/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MEN1 1057/4885KMT2A 453/4885NOS3 1768/4885

“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.