SCHEMBL14907932

SCHEMBL14907932

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.47
VCP P55072 1/20 0.41
FFAR1 O14842 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
KCNA4 P22459 1/20 0.40
KCNA1 Q09470 1/20 0.40
KDM1A O60341 2/20 0.40
ACACB O00763 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL14907976 0.92 PYGL (0.49) PYGLVCPFFAR1UTS2RKDM1A
SCHEMBL16139304 0.85 PYGL (0.48) PYGLVCPFFAR1UTS2RACACB
SCHEMBL14907945 0.84 PYGL (0.47) PYGLFFAR1RAB9ACYP1A2TSHR
SCHEMBL14907923 0.84 MAOB (0.54) PYGLUTS2RACACBL3MBTL1LMNA
SCHEMBL4188513 0.83 FFAR1 (0.54) PYGLFFAR1ACACBRAB9AHPGD
SCHEMBL18869865 0.81 VCP (0.45) PYGLVCPFFAR1UTS2RACACB
SCHEMBL14907922 0.79 ALDH1A1 (0.47) PYGLHPGDMMP2TSHR
SCHEMBL4172828 0.79 RAB9A (0.58) VCPFFAR1CA12CA2CA9
SCHEMBL4177570 0.77 HPGD (0.49) FFAR1ACACBRAB9AHPGDLMNA
SCHEMBL14907934 0.77 PTPN11 (0.47) PYGLCA12CA1CA2CA9

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 1629/4885VCP 4187/4885FFAR1 4713/4885

“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.