SCHEMBL3022342

SCHEMBL3022342

O=C(O)c1ccc(Sc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
HIF1A Q16665 2/20 0.56
EPAS1 Q99814 2/20 0.56
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 3/20 0.55
HRH3 Q9Y5N1 4/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.51

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
SCHEMBL426993 0.91 HPGD (0.66) HPGDHIF1AEPAS1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL1177256 0.90 HPGD (0.64) HPGDHIF1AEPAS1ALDH1A1RAB9A
SCHEMBL3008957 0.88 SMN1; SMN2 (0.68) HPGDHIF1AEPAS1ALDH1A1RAB9A
SCHEMBL13266931 0.87 HPGD (0.61) HPGDHIF1AEPAS1ALDH1A1RAB9A
SCHEMBL3019730 0.87 HPGD (0.61) HPGDHIF1AEPAS1ALDH1A1RAB9A
SCHEMBL28137839 0.87 AOC3 (0.62) HPGDHIF1AEPAS1ALDH1A1RAB9A
SCHEMBL254490 0.87 HRH3 (0.72) HPGDHIF1AEPAS1ALDH1A1RAB9A
SCHEMBL3013949 0.84 SMN1; SMN2 (0.59) HPGDHIF1AEPAS1ALDH1A1RAB9A
SCHEMBL28137072 0.84 HPGD (0.58) HPGDHIF1AEPAS1ALDH1A1RAB9A
SCHEMBL3019821 0.84 SMN1; SMN2 (0.70) HPGDHIF1AEPAS1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 CN disclosed
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-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
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO 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 HPGD 307/4885HIF1A 2073/4885EPAS1 3545/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HPGD 307/4885HIF1A 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.