SCHEMBL2454012

SCHEMBL2454012

N#CNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
EPHX2 P34913 2/20 0.47
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL11667126 0.83 IDO1 (0.33) EPHX1EPHX2NPC1MAPTMEN1
SCHEMBL11664814 0.83 ALDH1A1 (0.32) EPHX1EPHX2MAPTMEN1KMT2A
SCHEMBL26028958 0.81 RAPGEF4 (0.50) NPC1MAPTMEN1KMT2ARAB9A
SCHEMBL9494328 0.81 MEN1 (0.52) NPC1MAPTMEN1KMT2ARAB9A
SCHEMBL5535465 0.77 EPHX1 (0.47) EPHX1EPHX2CA2CA4CA5A
SCHEMBL2095962 0.77 EPHX1 (0.52) EPHX1EPHX2CA2CA4CA5A
SCHEMBL8985134 0.74 ALDH1A1 (0.32) CA2MAPTALDH1A1
SCHEMBL2836022 0.73 MAPT (0.44) CA2NPC1MAPTMEN1KMT2A
SCHEMBL8642760 0.73 NPC1 (0.30) NPC1MAPTRAB9AHTT
SCHEMBL11262155 0.72 MAPT (0.45) EPHX1EPHX2CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 EP disclosed
EP-2760856-A1 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
WO-2013049119-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2012149097-A2 GUANIDYLIMIDAZOLE AND GUANIDYLIMIDAZOLINE DERIVATIVES AS ANTIMALARIAL AGENTS, SYNTHESIS OF AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF ARMY, (US) 2012-11-01 WO disclosed
WO-2012149093-A1 2-GUANIDINO-4-OXO-IMIDAZOLINE DERIVATIVES AS ANTIMALARIAL AGENTS, SYNTHESIS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF ARMY (US) 2012-11-01 WO disclosed
US-8283370-B2 Imidazolidinedione derivatives as antimalarial agents, preparation thereof, and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2012-10-09 US disclosed
US-8283370-B2 Imidazolidinedione derivatives as antimalarial agents, preparation thereof, and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2012-10-09 US disclosed
US-20110230533-A1 IMIDAZOLIDINEDIONE DERIVATIVES AS ANTIMALARIAL AGENTS, PREPARATION THEREOF, AND METHODS OF USE LIN AI JENG 2011-09-22 US disclosed
US-20110230533-A1 IMIDAZOLIDINEDIONE DERIVATIVES AS ANTIMALARIAL AGENTS, PREPARATION THEREOF, AND METHODS OF USE LIN AI JENG 2011-09-22 US disclosed
WO-2010051129-A2 NEW IMIDAZOLIDINEDIONE DERIVATIVES AS ANTIMALARIAL AGENTS, PREPARATION THEREOF, AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2010-05-06 WO disclosed
US-4791229-A WITH ACETIC ACID SOLVENT AND AUXILIARY BASE BAYER AKTIENGESELLSCHAFT (DE) 1988-12-13 US disclosed
EP-0220584-A2 Process for the preparation of aryl cyanamides BAYER AG (DE) 1987-05-06 EP 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-20110230533-A1 IMIDAZOLIDINEDIONE DERIVATIVES AS ANTIMALARIAL AGENTS, PREPARATION THEREOF, AND METHODS OF USE ITPA, EIF2AK2, ABL1 EPHX1 2344/4885EPHX2 2813/4885CA2 2479/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A EPHX1 2098/4885EPHX2 2196/4885CA2 1912/4885

“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.