SCHEMBL6896249

SCHEMBL6896249

CC(O)CNc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 2/20 0.46
PKM P14618 2/20 0.46
RAB9A P51151 1/20 0.46
HCAR3 P49019 5/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL18477376 0.88 MAPT (0.50) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1889528 0.84 PKM (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2443266 0.84 MAPT (0.63) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL10805579 0.83 MAPT (0.62) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL17042584 0.82 MAPK1 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30425152 0.82 MAPK1 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL594213 0.80 HCAR3 (0.61) MAPTALDH1A1KDM4EMAPK1PKM
SCHEMBL6215124 0.80 KAT2B (0.47) MAPTALDH1A1KDM4EMAPK1PKM
SCHEMBL20128511 0.79 KDM4E (0.52) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10534535 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2APKM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 MAPT 951/4885ALDH1A1 2544/4885MEN1 1399/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 951/4885ALDH1A1 2544/4885MEN1 1399/4885

“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.