SCHEMBL422950

SCHEMBL422950

O=C(O)c1ccc2c(c1)nc1n2CCN(C2=CC=C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 13/20 0.45
LMNA P02545 7/20 0.43
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL419248 0.91 TSHR (0.37) TP53LMNAMAPTMAPK1RAB9A
SCHEMBL419958 0.88 TP53 (0.46) TP53LMNA
SCHEMBL421073 0.88 TP53 (0.43) TP53LMNAMAPTL3MBTL1DPP4
SCHEMBL420930 0.85 KMT2A (0.50) TP53RAB9A
SCHEMBL420411 0.84 RAB9A (0.40) TP53LMNAMAPTMAPK1RAB9A
SCHEMBL422621 0.81 PIK3CA (0.38) TP53MAPTMAPK1RAB9A
SCHEMBL420460 0.81 KDM4E (0.38) TP53MAPTMAPK1RAB9AHSD17B10
SCHEMBL418051 0.81 RAB9A (0.38) TP53LMNAMAPTMAPK1RAB9A
SCHEMBL3436674 0.81 TP53 (0.63) TP53LMNAMAPTPOLB
SCHEMBL422655 0.79 ALDH1A1 (0.43) LMNA

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 TP53 4740/4885LMNA 4701/4885MAPT 738/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 TP53 4740/4885LMNA 4701/4885MAPT 738/4885

“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.