SCHEMBL1047038

SCHEMBL1047038

O=C(O)Cc1ccc(CN2C=CN(Cc3ccccc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.59
▸ LMNA P02545 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ ENPP2 Q13822 2/20 0.48
▸ FFAR1 O14842 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ GRK2 P25098 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ S1PR5 Q9H228 3/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CAMK2A Q9UQM7 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
Hydrochloric Acid SCHEMBL1178991 0.98 AKR1B1 (0.57) AKR1B1LMNAHTTABCC4GAA
Acetic Acid SCHEMBL28332665 0.84 CYP2D6 (0.49) LMNATSHRPOLBS1PR5CYP2D6
SCHEMBL1046050 0.83 CA2 (0.43) AKR1B1LMNAHTTABCC4GAA
SCHEMBL1044027 0.83 SIGMAR1 (0.52) LMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL1179012 0.82 CA2 (0.42) AKR1B1LMNAHTTABCC4GAA
Bromide SCHEMBL1046639 0.81 SIGMAR1 (0.50) LMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL9343069 0.81 SIGMAR1 (0.50) LMNAPOLBALDH1A1
Phosphoric Acid SCHEMBL28041604 0.80 F2 (0.45) TSHRPOLBS1PR5CYP2D6CYP2C9
Phenylacetic Acid SCHEMBL28201036 0.79 AKR1B1 (0.94) AKR1B1LMNAHTTABCC4GAA
Glycine SCHEMBL29046435 0.78 KMT2A (0.41) LMNATSHRPOLBS1PR5CYP2D6

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
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 claimed
US-20160000757-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-01-07 — — US 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
EP-2803356-A1 Method for treating neurological disorders with imidazolium and imidazolinium compounds Agency for Science, Technology and Research (SG) 2014-11-19 — — EP 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
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-20160000757-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-01-07 — — US disclosed
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 disclosed
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
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
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

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 AKR1B1 4339/4885LMNA 1285/4885HTT 47/4885
US-20110178040-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 AKR1B1 3545/4885LMNA 2053/4885HTT 4628/4885
US-20160331727-A9 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 AKR1B1 3545/4885LMNA 2053/4885HTT 4628/4885
US-20160000757-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 AKR1B1 3545/4885LMNA 2053/4885HTT 4628/4885

“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.

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