SCHEMBL3011671

SCHEMBL3011671

N#Cc1ccc(/C=C(\F)C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
MMP2 P08253 3/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 3/20 0.41
USP2 O75604 1/20 0.40
DYRK3 O43781 1/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
CDK7 P50613 1/20 0.40
CDK5 Q00535 1/20 0.40
CAMK2G Q13555 1/20 0.40
MARK2 Q7KZI7 1/20 0.40
PIM3 Q86V86 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40

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
SCHEMBL3011672 1.00 HRH3 (0.47) HRH3HIF1AEPAS1MMP2MMP8
SCHEMBL13267200 0.89 HRH3 (0.47) HRH3HIF1AEPAS1MMP2MMP8
SCHEMBL3017138 0.86 MMP13 (0.46) HRH3HIF1AEPAS1MMP2MMP8
SCHEMBL3022507 0.86 MMP13 (0.46) HRH3HIF1AEPAS1MMP2MMP8
SCHEMBL3022510 0.86 MMP13 (0.46) HRH3HIF1AEPAS1MMP2MMP8
SCHEMBL3017136 0.86 MMP13 (0.46) HRH3HIF1AEPAS1MMP2MMP8
SCHEMBL3017132 0.86 MMP13 (0.46) HRH3HIF1AEPAS1MMP2MMP8
SCHEMBL13267199 0.84 HIF1A (0.46) HRH3HIF1AEPAS1USP2DYRK3
SCHEMBL3020196 0.82 SMN1; SMN2 (0.56) HIF1AEPAS1MMP2MMP8MMP13
SCHEMBL3020195 0.82 SMN1; SMN2 (0.56) HIF1AEPAS1MMP2MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 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 (2 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HRH3 4192/4885HIF1A 2073/4885EPAS1 3545/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HRH3 4192/4885HIF1A 2073/4885EPAS1 3545/4885

“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.