SCHEMBL2118773

SCHEMBL2118773

CN(CCCN)Cc1ccccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
CHRM2 P08172 3/20 0.43
CARM1 Q86X55 7/20 0.42
PRMT6 Q96LA8 2/20 0.42
PRMT8 Q9NR22 2/20 0.42
PRMT3 O60678 1/20 0.41
PRMT1 Q99873 5/20 0.40
ACHE P22303 6/20 0.37
BCHE P06276 2/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL2119569 0.90 CARM1 (0.53) LIPGCHRM2CARM1PRMT6PRMT8
SCHEMBL29953487 0.81 CHRM2 (0.48) LIPGCHRM2ACHEBCHECHRM1
SCHEMBL14753645 0.79 LIPG (0.47) LIPGCHRM2ACHEBCHECHRM1
Hydrochloric Acid SCHEMBL31687466 0.77 ACHE (0.57) CHRM2CARM1PRMT6PRMT8PRMT3
SCHEMBL14342121 0.77 CHRM2 (0.45) CHRM2CARM1PRMT6PRMT8PRMT3
SCHEMBL4537 0.75 LIPG (0.50) LIPG
SCHEMBL29504654 0.75 LIPG (0.50) LIPG
SCHEMBL14307656 0.75 CHRM2 (0.42) CHRM2ACHEBCHECHRM1
SCHEMBL14282727 0.75 F2 (0.40)
SCHEMBL4695639 0.75 ALDH1A1 (0.55) LIPGCARM1PRMT6PRMT8ACHE

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
US-8460636-B2 Complex compound and MRI probe made of same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-06-11 US disclosed
US-8460636-B2 Complex compound and MRI probe made of same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-06-11 US disclosed
US-8460636-B2 Complex compound and MRI probe made of same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-06-11 US disclosed
US-20120093735-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME SUZUKI KOJI (JP) 2012-04-19 US disclosed
US-20120093735-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME SUZUKI KOJI (JP) 2012-04-19 US disclosed
US-20120093735-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME SUZUKI KOJI (JP) 2012-04-19 US disclosed
US-20110165089-A1 Complex Compound and MRI Probe Made of Same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-07 US disclosed
US-20110165089-A1 Complex Compound and MRI Probe Made of Same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-07 US disclosed
US-20110165089-A1 Complex Compound and MRI Probe Made of Same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-07 US disclosed
EP-1864968-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME Japan Science and Technology Agency (JP) 2007-12-12 EP disclosed
EP-1864968-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME Japan Science and Technology Agency (JP) 2007-12-12 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-20120093735-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME KCNN2, KCNN1, KCNN3 LIPG 3517/4885CHRM2 1786/4885CARM1 2767/4885
US-20110165089-A1 Complex Compound and MRI Probe Made of Same KCNN2, KCNN1, KCNN3 LIPG 3517/4885CHRM2 1786/4885CARM1 2767/4885

“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.