SCHEMBL14907976

SCHEMBL14907976

Cc1ccc(C#CC(=O)NCCCN)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.49
KDM1A O60341 1/20 0.42
VCP P55072 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
ACACB O00763 1/20 0.38
BRD4 O60885 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 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
SCHEMBL14907932 0.92 PYGL (0.47) PYGLKDM1AVCPUTS2RRAB9A
SCHEMBL14907963 0.84 PYGL (0.56) PYGLUTS2RL3MBTL1ACACBBRD4
SCHEMBL14907916 0.84 PYGL (0.49) PYGLRAB9AFFAR1
SCHEMBL16139304 0.84 PYGL (0.48) PYGLVCPUTS2RRAB9AFFAR1
SCHEMBL4188513 0.81 FFAR1 (0.54) PYGLRAB9AFFAR1HPGDACACB
SCHEMBL18869865 0.80 VCP (0.45) PYGLVCPUTS2RRAB9AFFAR1
SCHEMBL14907956 0.80 ALDH1A1 (0.46) PYGLHPGD
SCHEMBL4172828 0.78 RAB9A (0.58) VCPRAB9AFFAR1CA12CA2
SCHEMBL16139309 0.77 CCNC (0.47) PYGLBRD4CA12CA1CA2
SCHEMBL14907923 0.76 MAOB (0.54) PYGLUTS2RL3MBTL1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B PYGL 1629/4885KDM1A 41/4885VCP 4187/4885

“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.