SCHEMBL1076866

SCHEMBL1076866

c1ccc(CCn2cc[n+](CCc3ccccc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ HMOX1 P09601 1/20 0.35

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
Iodide SCHEMBL9160116 0.98 KMT2A (0.41) KMT2APOLBATMMEN1RECQL
Bromide SCHEMBL1077950 0.98 KMT2A (0.43) KMT2APOLBATMMEN1RECQL
Oxalic Acid SCHEMBL17395226 0.89 KMT2A (0.43) KMT2APOLBATMMEN1RECQL
SCHEMBL21250472 0.86 PON1 (0.43) KMT2AMEN1CA1CA2
SCHEMBL27681815 0.85 KMT2A (0.41) KMT2APOLBATMMEN1RECQL
SCHEMBL925005 0.81 CA1 (0.40) KMT2APOLBATMCA1CA2
Hydrochloric Acid SCHEMBL9661509 0.80 SIGMAR1 (0.43) KMT2AMEN1HTR1ADRD2SIGMAR1
Hydrochloric Acid SCHEMBL9661502 0.80 SIGMAR1 (0.41) KMT2AMEN1SIGMAR1
Hydrochloric Acid SCHEMBL6115226 0.79 CA1 (0.40) KMT2APOLBATMCA1CA2
SCHEMBL925001 0.77 KMT2A (0.46) KMT2APOLBATMMEN1CA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164527-A1 SYNTHESIS AND USE OF BIO-BASED IMIDAZOLIUM CARBOXYLATES Université de Bourgogne (FR) 2017-05-10 — — EP claimed
WO-2016001436-A1 SYNTHESIS AND USE OF BIO-BASED IMIDAZOLIUM CARBOXYLATES Université de Bourgogne (FR) 2016-01-07 — — WO claimed
US-9072729-B2 Method for treating fibrosis and cancer with imidazolium and imidazolinium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-07-07 — — US claimed
US-20110178040-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-07-21 — — US claimed
US-20110028513-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-02-03 — — US claimed
EP-2271338-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2011-01-12 — — EP claimed
EP-2249832-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2010-11-17 — — EP claimed
WO-2009123569-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-08 — — WO claimed
WO-2009096905-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-08-06 — — WO claimed
EP-3164527-B1 SYNTHESIS AND USE OF BIO-BASED IMIDAZOLIUM CARBOXYLATES UNIV BOURGOGNE (FR) 2019-04-17 — — EP disclosed
US-9863048-B2 Synthesis and use of biobased imidazolium carboxylates Université de Bourgogne (FR) 2018-01-09 — — US disclosed
EP-3164527-A1 SYNTHESIS AND USE OF BIO-BASED IMIDAZOLIUM CARBOXYLATES Université de Bourgogne (FR) 2017-05-10 — — EP disclosed
US-20160331727-A9 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-17 — — US disclosed
US-20160002796-A1 SYNTHESIS AND USE OF BIOBASED IMIDAZOLIUM CARBOXYLATES Université de Bourgogne (FR) 2016-01-07 — — US disclosed
US-20110178040-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-07-21 — — US disclosed
US-20110028513-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-02-03 — — US disclosed
EP-2271338-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2011-01-12 — — EP disclosed
EP-2249832-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2010-11-17 — — EP disclosed
WO-2009123569-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-08 — — WO disclosed
WO-2009096905-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-08-06 — — WO 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 (4 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-20110028513-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS SMN1; SMN2, INA, NLN KMT2A 4078/4885POLB 4811/4885ATM 3133/4885
US-20110178040-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 KMT2A 3630/4885POLB 4512/4885ATM 638/4885
US-20160002796-A1 SYNTHESIS AND USE OF BIOBASED IMIDAZOLIUM CARBOXYLATES IDH2, IDH1, HOGA1 KMT2A 4032/4885POLB 1122/4885ATM 4790/4885
US-20160331727-A9 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 KMT2A 3630/4885POLB 4512/4885ATM 638/4885

“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.

Send feedback