SCHEMBL12495579

SCHEMBL12495579

CCN(CC)c1ccc2cc(-c3cn(-c4ccc(N5CCOCCOCCOCCOCC5)c(OC)c4)nn3)c(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ ADRA1B P35368 2/20 0.47
▸ CYP19A1 P11511 4/20 0.45
▸ MAPT P10636 12/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ LMNA P02545 6/20 0.44
▸ HTT P42858 5/20 0.44
▸ USP2 O75604 3/20 0.44
▸ ATM Q13315 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ BRCA1 P38398 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43

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
SCHEMBL12495141 0.93 CASP1 (0.43) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL20630860 0.93 ADRA1D (0.42) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL12495402 0.89 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL12495445 0.89 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL20630368 0.86 CASP1 (0.38) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL12495524 0.85 ADRA1A (0.54) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL12528173 0.85 ADRA1D (0.38) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL12528167 0.81 CASP1 (0.35) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL12496090 0.79 ADRA1D (0.48) ADRA1DADRA1AADRA1BCYP19A1MAPT
SCHEMBL12494762 0.79 ADRA1D (0.48) ADRA1DADRA1AADRA1BCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683714-B1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIV POTSDAM (DE) 2019-01-09 — — EP claimed
EP-2683714-A1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION Universität Potsdam (DE) 2014-01-15 — — EP claimed
US-20130344607-A1 PI-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIVERSITAET POTSDAM (DE) 2013-12-26 — — US claimed
WO-2012120141-A1 Π (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIVERSITÄT POTSDAM (DE) 2012-09-13 — — WO claimed
EP-2683714-B1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIV POTSDAM (DE) 2019-01-09 — — EP disclosed
EP-2683714-B1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIV POTSDAM (DE) 2019-01-09 — — EP disclosed
EP-2683714-A1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION Universität Potsdam (DE) 2014-01-15 — — EP disclosed
US-20130344607-A1 PI-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIVERSITAET POTSDAM (DE) 2013-12-26 — — US disclosed
WO-2012120141-A1 Π (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIVERSITÄT POTSDAM (DE) 2012-09-13 — — 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-20130344607-A1 PI-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION SLCO2A1, SLCO2B1, SLCO4C1 ADRA1D 2277/4885ADRA1A 2939/4885ADRA1B 3851/4885

“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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