SCHEMBL18857745

SCHEMBL18857745

Nc1ccncc1NCP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
KDM4C Q9H3R0 5/20 0.39
KDM6B O15054 3/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4A O75164 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 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
SCHEMBL18857744 0.87 KDM4C (0.40) FDPSKDM4CKDM6BHDAC1HDAC3
SCHEMBL18857773 0.75 KDM4C (0.46) KDM4CKDM6BHDAC1HDAC3HDAC2
SCHEMBL3068769 0.74 KDM4C (0.57) KDM4CKDM6BGAAAOC1AOC3
SCHEMBL2268998 0.73 AOC1 (0.61) KDM4CKDM6BGAAKDM4EALDH1A1
SCHEMBL18857746 0.71 KDM4C (0.43) KDM4CKDM6BGAAMAPT
SCHEMBL14241212 0.71 FDPS (0.65) FDPSHDAC1GAAKDM4EALDH1A1
Amifampridine SCHEMBL3958357 0.70 ALDH1A1 (0.50) FDPSKDM4CKDM6BHDAC1HDAC3
Amifampridine SCHEMBL22494082 0.70 ALDH1A1 (0.50) FDPSKDM4CKDM6BHDAC1HDAC3
SCHEMBL14576594 0.70 PTGER4 (0.46) KDM4CKDM6BGAAKDM4EALDH1A1
SCHEMBL29703087 0.69 ULK1 (0.39) KDM4CHDAC1HDAC2GAAL3MBTL1

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 FDPS 3997/4885KDM4C 2547/4885KDM6B 2035/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG FDPS 4141/4885KDM4C 2583/4885KDM6B 2054/4885

“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.