SCHEMBL3139983

SCHEMBL3139983

CC(C)(C(N)=O)c1ccc(C[CH]C(=O)NCc2ccc(N)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
NAMPT P43490 3/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
MASP2 O00187 3/20 0.38
F2 P00734 4/20 0.38

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
SCHEMBL3153994 0.82 NNMT (0.49) HDAC1NAMPTGABRPGABRDGABRA1
SCHEMBL3154818 0.81 NAMPT (0.55) HDAC1NAMPTGABRPGABRDGABRA1
SCHEMBL3139636 0.80 GABRP (0.40) HDAC1NAMPTGABRPGABRDGABRA1
SCHEMBL3144601 0.78 GABRP (0.39) HDAC1NAMPTGABRPGABRDGABRA1
SCHEMBL3141272 0.77 F10 (0.43) HDAC1NAMPTGABRPGABRDGABRA1
SCHEMBL3154800 0.77 F2 (0.45) F2
SCHEMBL3149644 0.75 NAMPT (0.44) HDAC1NAMPTGABRPGABRDGABRA1
SCHEMBL3140763 0.75 TSHR (0.44) HDAC1NAMPTGABRPGABRDGABRA1
SCHEMBL3154969 0.75 NAMPT (0.39) HDAC1NAMPTGABRPGABRDGABRA1
SCHEMBL3140045 0.74 NAMPT (0.43) HDAC1NAMPTGABRPGABRDGABRA1

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 HDAC1 1534/4885NAMPT 1657/4885GABRP 1565/4885

“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.