SCHEMBL18857773

SCHEMBL18857773

Nc1ccncc1NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 12/20 0.46
KDM6B O15054 6/20 0.44
KDM4E B2RXH2 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4D Q6B0I6 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
AOC1 P19801 1/20 0.39
AOC3 Q16853 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL18857775 0.86 KDM4C (0.49) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL18857778 0.84 KDM4C (0.46) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL16628551 0.79 KDM4C (0.43) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL15600006 0.79 KDM4C (0.50) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL18857774 0.77 KDM4C (0.45) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL15597381 0.75 KDM4C (0.40) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL18857777 0.75 KDM4C (0.43) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL18857745 0.75 FDPS (0.39) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL27147974 0.74 KDM4C (0.43) KDM4CKDM6BKDM4EKDM4AKDM4D
SCHEMBL1697077 0.74 HDAC1 (0.52) KDM4EALDH1A1MEN1MAPTKMT2A

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 2035/4885KDM4E 1742/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG KDM4C 2583/4885KDM6B 2054/4885KDM4E 1857/4885

“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.