SCHEMBL1046166

SCHEMBL1046166

c1ccc(Cc2ccc(Cc3ccccc3)c(Cc3ccccc3)c2Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.58
BCL2 P10415 1/20 0.52
BCL2L1 Q07817 1/20 0.52
ALOX5 P09917 1/20 0.50
HTR2A P28223 1/20 0.48
CTRC Q99895 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL11843990 0.89 TP53 (0.48) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL5576274 0.89 CALM1 (0.46) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL31167415 0.89 TP53 (0.48) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL29713477 0.87 BCL2 (0.57) CALM1BCL2BCL2L1ALOX5MEN1
SCHEMBL4627893 0.87 CALM1 (0.44) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL1704793 0.87 CALM1 (0.44) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL3917918 0.87 CALM1 (0.44) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL1841243 0.87 BCL2 (0.57) CALM1BCL2BCL2L1ALOX5MEN1
SCHEMBL1204710 0.87 CALM1 (0.44) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL9063880 0.87 IDH1 (0.46) CALM1BCL2BCL2L1ALOX5HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101983057-A Methods of treating fibrosis and cancer with imidazole and imidazoline compounds AGENCY SCIENCE TECH & RES 2011-03-02 CN 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-2803356-A1 Method for treating neurological disorders with imidazolium and imidazolinium compounds Agency for Science, Technology and Research (SG) 2014-11-19 EP disclosed
CN-101983057-A Methods of treating fibrosis and cancer with imidazole and imidazoline compounds AGENCY SCIENCE TECH & RES 2011-03-02 CN 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-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-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 (1 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 CALM1 790/4885BCL2 687/4885BCL2L1 2069/4885

“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.