SCHEMBL18858136

SCHEMBL18858136

Nc1ccncc1NC(=O)CN(CCO)CCO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ KDM4C Q9H3R0 4/20 0.37
▸ KDM6B O15054 2/20 0.37
▸ KDM4D Q6B0I6 2/20 0.37
▸ CA1 P00915 6/20 0.37
▸ CA2 P00918 6/20 0.37
▸ CA4 P22748 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC2 Q92769 2/20 0.36
▸ EGLN3 Q9H6Z9 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL18858142 0.89 HDAC3 (0.44) MAPK8MAPK9MAPK10KDM4CKDM6B
SCHEMBL18858139 0.87 KDM4C (0.40) KDM4CKDM6BKDM4DCA1CA2
SCHEMBL18858144 0.82 MAPK8 (0.34) MAPK8MAPK9MAPK10KDM4CKDM6B
SCHEMBL28994432 0.76 TERT (0.48) KDM4CKDM6BKDM4DHDAC1HDAC3
SCHEMBL18858140 0.76 HDAC1 (0.43) KDM4CKDM6BKDM4DHDAC1HDAC3
SCHEMBL10206277 0.74 CA1 (0.46) KDM4CKDM6BKDM4DCA1CA2
SCHEMBL27147974 0.72 KDM4C (0.43) KDM4CKDM6BKDM4DHDAC1HDAC3
SCHEMBL9017891 0.72 HDAC1 (0.49) KDM4CKDM6BKDM4DHDAC1HDAC3
SCHEMBL14357917 0.71 HDAC1 (0.46) KDM4CKDM6BKDM4DHDAC1HDAC3
SCHEMBL7653834 0.70 HDAC1 (0.45) KDM4CKDM6BKDM4DHDAC1HDAC3

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 MAPK8 3665/4885MAPK9 2445/4885MAPK10 1304/4885

“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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