SCHEMBL16839741

SCHEMBL16839741

CCOC(=O)CCNCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM6B O15054 1/20 0.44
KDM6A O15550 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
KDM5C P41229 1/20 0.44
KDM3B Q7LBC6 1/20 0.44
TET1 Q8NFU7 1/20 0.44
KDM2B Q8NHM5 1/20 0.44

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
SCHEMBL16839742 0.83 LTA4H (0.55) LTA4HSMN1; SMN2ALDH1A1PPIDCYP2D6
SCHEMBL16839759 0.83 CD274 (0.55) LTA4HHDAC1ALDH1A1HTTTOP2A
SCHEMBL16839080 0.82 KDM1A (0.46) LTA4HHDAC1HDAC2HDAC8HDAC6
SCHEMBL16839066 0.81 TSHR (0.43) LTA4HHDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16839065 0.81 PDCD1LG2 (0.42) LTA4HSMN1; SMN2PPIDTOP2A
SCHEMBL16839071 0.81 PTGER4 (0.47) LTA4HHDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL549268 0.80 LTA4H (0.60) LTA4HHDAC3HDAC1HDAC2HDAC8
SCHEMBL16839799 0.80 SMN1; SMN2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22612137 0.80 CHRM2 (0.51) LTA4HSMN1; SMN2ALDH1A1LMNATOP2A
SCHEMBL16839069 0.80 LTA4H (0.43) LTA4HHDAC3HDAC4HDAC1HDAC7

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 1991/4885HDAC3 80/4885HDAC4 13/4885

“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.