SCHEMBL4889367

SCHEMBL4889367

O=C(O)NCCn1cc(-c2cccs2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.40
HDAC2 Q92769 7/20 0.40
HDAC3 O15379 6/20 0.40
HDAC1 Q13547 6/20 0.40
KDM5B Q9UGL1 1/20 0.39
CHRM4 P08173 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
HTR2A P28223 1/20 0.38
NR4A2 P43354 1/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL4900416 0.83 DRD2 (0.41) HDAC2HDAC3HDAC1DRD2NR4A2
SCHEMBL3865465 0.81 LTA4H (0.40) EGLN1HDAC2NR4A2FFAR1TSHR
SCHEMBL4894394 0.80 KDM4E (0.50) EGLN1HDAC2ALDH1A1FFAR1TSHR
SCHEMBL3859168 0.78 LTA4H (0.47) EGLN1HDAC2NR4A2FFAR1
SCHEMBL21384120 0.73 POLB (0.60) KDM5BALDH1A1LMNATSHRRAB9A
SCHEMBL4898926 0.72 KMT2A (0.40) EGLN1ALDH1A1DRD2TSHRRAB9A
SCHEMBL3164878 0.69 PTGDR2 (0.53) HDAC1RAB9A
SCHEMBL15675117 0.68 PSMB1 (0.57) ALDH1A1LMNATSHRRAB9A
SCHEMBL10059388 0.66 KDM4E (0.49) EGLN1HDAC2ALDH1A1RAB9ASRC
SCHEMBL5439645 0.66 DRD2 (0.49) ALDH1A1DRD2DRD4HTR2A

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-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET EGLN1 185/4885HDAC2 2491/4885HDAC3 1388/4885

“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.