SCHEMBL1044086

SCHEMBL1044086

Cc1ccc(CN2C=CN(Cc3ccccc3)C2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ACHE P22303 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
BACE1 P56817 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RGS4 P49798 2/20 0.43
RGS8 P57771 1/20 0.43
BCHE P06276 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL1078734 0.90 ACHE (0.47) LMNAPOLBMEN1KMT2AACHE
Hydrochloric Acid SCHEMBL18789343 0.88 ACHE (0.46) LMNAPOLBMEN1KMT2AACHE
SCHEMBL3457641 0.83 ACHE (0.42) LMNAPOLBMEN1KMT2AACHE
SCHEMBL10013934 0.81 TP53 (0.39) LMNAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL5305203 0.80 ACHE (0.40) LMNAMEN1KMT2AACHETP53
SCHEMBL1832291 0.79 ACHE (0.42) LMNAACHEMAPTALDH1A1NPSR1
Hydrochloric Acid SCHEMBL1077184 0.78 AKR1B1 (0.53) LMNAPOLBMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL29061348 0.78 ACHE (0.41) LMNAACHEMAPTALDH1A1NPSR1
Hydrochloric Acid SCHEMBL29061350 0.76 ACHE (0.40) LMNAACHEMAPTALDH1A1NPSR1
SCHEMBL5289001 0.76 PDE2A (0.43) LMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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 (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 LMNA 1285/4885POLB 4811/4885MEN1 2340/4885

“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.