SCHEMBL18858143

SCHEMBL18858143

Nc1ccnc(Nc2cnccc2NC(=O)CNCCO)c1NC(=O)CNCCO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC3 O15379 2/20 0.33
▸ KDM4C Q9H3R0 5/20 0.33
▸ KDM6B O15054 2/20 0.33
▸ KDM4D Q6B0I6 2/20 0.33
▸ EGFR P00533 2/20 0.32
▸ EGLN3 Q9H6Z9 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL18858144 0.82 MAPK8 (0.34) KDM4CKDM6BKDM4DEGFREGLN3
SCHEMBL18858140 0.81 HDAC1 (0.43) HDAC1HDAC3KDM4CKDM6BKDM4D
SCHEMBL18858135 0.80 KDM4C (0.40) KDM4CKDM6BKDM4DEGLN3ALDH1A1
SCHEMBL18858141 0.79 HDAC1 (0.47) HDAC1HDAC3
SCHEMBL27147974 0.66 KDM4C (0.43) HDAC1HDAC3KDM4CKDM6BKDM4D
SCHEMBL10206277 0.65 CA1 (0.46) HDAC1HDAC3KDM4CKDM6BKDM4D
SCHEMBL5767632 0.65 NOTUM (0.57) HDAC1HDAC3ALDH1A1
SCHEMBL18858136 0.61 MAPK8 (0.39) HDAC1HDAC3KDM4CKDM6BKDM4D
SCHEMBL9017891 0.60 HDAC1 (0.49) HDAC1HDAC3KDM4CKDM6BKDM4D
SCHEMBL18857773 0.60 KDM4C (0.46) HDAC1HDAC3KDM4CKDM6BKDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy TPAT IP LLC 2018-05-17 — — US disclosed
US-9867813-B2 Aminopyridine based buffers with wide buffering ranges, antibiotics and myelin disease therapy TPAT IP LLC 2018-01-16 — — US disclosed
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 (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-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG HDAC1 2045/4885HDAC3 2417/4885KDM4C 2547/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG HDAC1 2464/4885HDAC3 2650/4885KDM4C 2583/4885

“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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