SCHEMBL16839769

SCHEMBL16839769

CCOC(=O)CCNCc1ccc2cccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
TOP2A P11388 2/20 0.44
HDAC6 Q9UBN7 1/20 0.42
P2RY14 Q15391 1/20 0.42
TP53 P04637 2/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
NOTUM Q6P988 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6359744 0.84 CYP4F2 (0.51) P2RY14TP53RECQLRAB9ACYSLTR2
SCHEMBL16839775 0.83 HDAC3 (0.54) LTA4HTOP2A
SCHEMBL13311845 0.77 HDAC6 (0.48) HDAC6P2RY14NOTUMEGLN1
SCHEMBL13972836 0.77 ALDH1A1 (0.50) HDAC6TP53RECQLRAB9AEGLN1
SCHEMBL16681785 0.77 LTA4H (0.46) LTA4HTOP2AHPGDHTT
SCHEMBL16839834 0.76 LTA4H (0.52) LTA4HRAB9AALDH1A1KDM4E
SCHEMBL16839741 0.75 LTA4H (0.48) LTA4HTOP2AHDAC6ALDH1A1KDM4E
SCHEMBL6136444 0.75 LMNA (0.54) LTA4HTP53ALDH1A1KDM4E
SCHEMBL26240663 0.75 KMT2A (0.54) TP53ALDH1A1
SCHEMBL9830685 0.75 LTA4H (0.49) LTA4HALDH1A1KDM4EHPGDHSD17B10

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-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 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 (1 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 LTA4H 1991/4885TOP2A 1761/4885HDAC6 256/4885

“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.