SCHEMBL3020195

SCHEMBL3020195

COC(=O)c1ccc(C#C/C(F)=C/c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
MMP2 P08253 4/20 0.45
MMP9 P14780 4/20 0.45
MMP8 P22894 4/20 0.45
MMP13 P45452 4/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13245266 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2ATSHRGAA
SCHEMBL3020196 1.00 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1KMT2ATSHRGAA
SCHEMBL3017132 0.88 MMP13 (0.46) SMN1; SMN2MAPTRAB9AHIF1AEPAS1
SCHEMBL3022507 0.88 MMP13 (0.46) SMN1; SMN2MAPTRAB9AHIF1AEPAS1
SCHEMBL3017136 0.88 MMP13 (0.46) SMN1; SMN2MAPTRAB9AHIF1AEPAS1
SCHEMBL3017138 0.88 MMP13 (0.46) SMN1; SMN2MAPTRAB9AHIF1AEPAS1
SCHEMBL3022510 0.88 MMP13 (0.46) SMN1; SMN2MAPTRAB9AHIF1AEPAS1
SCHEMBL254974 0.85 MAPK1 (0.70) SMN1; SMN2MAPK1KMT2ATSHRLMNA
SCHEMBL13267200 0.84 HRH3 (0.47) HIF1AEPAS1MMP2MMP8MMP13
SCHEMBL13267510 0.84 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1KMT2ATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP 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
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US 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 SMN1; SMN2 2202/4885MAPK1 2069/4885KMT2A 4779/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885MAPK1 2069/4885KMT2A 4779/4885

“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.