SCHEMBL14907945

SCHEMBL14907945

NCCNC(=O)C#Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 1/20 0.41
APP P05067 1/20 0.40
PLD2 O14939 2/20 0.40
PLD1 Q13393 2/20 0.40
GFER P55789 1/20 0.39
EGLN1 Q9GZT9 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL14907916 0.92 PYGL (0.49) PYGLNPC1RAB9AFFAR1APP
SCHEMBL14907923 0.84 MAOB (0.54) PYGLCYP1A2TSHRNFKB1MAOB
SCHEMBL14907932 0.84 PYGL (0.47) PYGLRAB9AFFAR1CYP1A2TSHR
SCHEMBL16139302 0.84 ALDH1A1 (0.51) PYGLFFAR1APPPLD2PLD1
SCHEMBL4174162 0.83 FFAR1 (0.54) PYGLNPC1RAB9AFFAR1MEN1
SCHEMBL14907954 0.82 GFER (0.51) PYGLNPC1RAB9AGFERCYP1A2
SCHEMBL4174394 0.79 RAB9A (0.58) NPC1RAB9AFFAR1MEN1KMT2A
SCHEMBL14907922 0.79 ALDH1A1 (0.47) PYGLTSHRMEN1KMT2AALDH1A1
SCHEMBL4177570 0.77 HPGD (0.49) NPC1RAB9AFFAR1KMT2AALDH1A1
SCHEMBL4175354 0.77 HPGD (0.49) NPC1RAB9AFFAR1KMT2AALDH1A1

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 1629/4885NPC1 1628/4885RAB9A 2603/4885

“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.