SCHEMBL18858135

SCHEMBL18858135

O=C(CNCCO)Nc1ccncc1NC(=O)CNCCO

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 6/20 0.40
▸ KDM6B O15054 4/20 0.40
▸ KDM4D Q6B0I6 3/20 0.40
▸ EGLN3 Q9H6Z9 1/20 0.39
▸ GALR3 O60755 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ APBA1 Q02410 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.36

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
SCHEMBL18858140 0.87 HDAC1 (0.43) KDM4CKDM6BKDM4D
SCHEMBL18858141 0.87 HDAC1 (0.47) —
SCHEMBL18858143 0.80 HDAC1 (0.35) KDM4CKDM6BKDM4DEGLN3KDM5A
SCHEMBL5767632 0.78 NOTUM (0.57) NOTUMALDH1A1POLBSMN1; SMN2GAA
SCHEMBL18858139 0.74 KDM4C (0.40) KDM4CKDM6BKDM4DEGLN3GALR3
SCHEMBL9413722 0.70 KDM4C (0.46) KDM4CKDM6BKDM4DEGLN3KDM4E
SCHEMBL5913077 0.70 HPGD (0.57) ALDH1A1SMN1; SMN2
SCHEMBL6068705 0.69 GAA (0.65) KDM4EALDH1A1POLBSMN1; SMN2GAA
SCHEMBL10338664 0.69 KDM4C (0.47) KDM4CKDM6BKDM4DALDH1A1POLB
SCHEMBL11785889 0.68 ALDH1A1 (0.64) KDM4EALDH1A1POLBSMN1; SMN2

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 KDM4C 2547/4885KDM6B 2035/4885KDM4D 1782/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG KDM4C 2583/4885KDM6B 2054/4885KDM4D 1904/4885

“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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