SCHEMBL18858142

SCHEMBL18858142

Nc1cnccc1NC(=O)CN(CCO)CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ HDAC2 Q92769 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 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
SCHEMBL18858136 0.89 MAPK8 (0.39) HDAC3HDAC1MAPK8MAPK9MAPK10
SCHEMBL18858139 0.87 KDM4C (0.40) KDM6BKDM4DKDM4CCA1CA2
SCHEMBL18858144 0.79 MAPK8 (0.34) MAPK8MAPK9MAPK10KDM6BKDM4D
SCHEMBL18858141 0.76 HDAC1 (0.47) HDAC3HDAC1HDAC2
SCHEMBL17095493 0.72 HDAC3 (0.49) HDAC3HDAC1KDM4EALDH1A1MAPT
SCHEMBL28824138 0.72 KDM4E (0.53) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL9426430 0.71 KDM4E (0.50) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL15432244 0.68 KDM4E (0.56) HDAC3HDAC1HDAC2KDM4EALDH1A1
SCHEMBL8252207 0.67 MAPT (0.43) HDAC3HDAC1KDM4EALDH1A1MEN1
SCHEMBL16095414 0.67 PTPN1 (0.48) HDAC3HDAC1HDAC2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy TPAT IP LLC 2017-05-18 — — 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-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG HDAC3 2650/4885HDAC1 2464/4885MAPK8 3665/4885

“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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