SCHEMBL17124187

SCHEMBL17124187

CN(C)c1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc(N(C)C)cc2O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.68
▸ L3MBTL1 Q9Y468 3/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ PHLPP2 Q6ZVD8 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ CDC25C P30307 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BAZ1A Q9NRL2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL30327116 0.88 MAPT (0.59) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6558976 0.82 MAPT (1.00) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL18022811 0.82 MAPT (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11672106 0.80 ALDH1A1 (0.43) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6556764 0.78 MAPT (0.68) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL30054040 0.78 MAPT (0.68) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL15488872 0.77 MAPT (0.45) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL218018 0.75 MAPT (0.78) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL6556773 0.75 MAPT (0.62) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11583222 0.74 ALDH1A1 (0.50) MAPTL3MBTL1MAPK1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150276751-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-10-01 — — US disclosed
US-20150276751-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-10-01 — — US 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-20150276751-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION ACAT1, ACAT2, ACAA2 MAPT 1007/4885L3MBTL1 2819/4885MAPK1 4285/4885

“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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