SCHEMBL20001352

SCHEMBL20001352

NCC1CCN(CC(O)Cn2ccnc2N=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
DRD4 P21917 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 3/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
RAD52 P43351 1/20 0.31
ABCB1 P08183 2/20 0.31
CXCR4 P61073 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
SCHEMBL14228071 0.88 KMT2A (0.34) KMT2ADRD4KDM4EMEN1CARM1
SCHEMBL14228074 0.86 KMT2A (0.36) KMT2ADRD4KDM4EMEN1RAD52
SCHEMBL12739148 0.84 KMT2A (0.32) KMT2ADRD4KDM4EMEN1RAD52
SCHEMBL12739672 0.82 KMT2A (0.33) KMT2ADRD4KDM4EMEN1CARM1
SCHEMBL17783195 0.79 KMT2A (0.59) KMT2ADRD4KDM4E
SCHEMBL14228072 0.77 KDM4E (0.35) KMT2AKDM4EMEN1RAD52
SCHEMBL13063841 0.73 POLB (0.38) KMT2AKDM4EMEN1
SCHEMBL13063786 0.72 KMT2A (0.36) KMT2AKDM4EMEN1
SCHEMBL14195803 0.69 HPGD (0.46) KMT2AKDM4EMEN1
SCHEMBL12714284 0.68 KMT2A (0.60) KMT2ADRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695446-B2 Composition and method for detecting hypoxia VANDERBILT UNIVERSITY (US) 2020-06-30 US disclosed
US-20180085475-A1 Composition and Method for Detecting Hypoxia VANDERBILT UNIVERSITY 2018-03-29 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-10695446-B2 Composition and method for detecting hypoxia HIF1A, HIF1AN, HYOU1 KMT2A 888/4885DRD4 4831/4885KDM4E 1640/4885
US-20180085475-A1 Composition and Method for Detecting Hypoxia HIF1A, HIF1AN, HYOU1 KMT2A 888/4885DRD4 4831/4885KDM4E 1640/4885

“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.