SCHEMBL3020183

SCHEMBL3020183

O=C(O)c1ccc(C2CCN(c3ccc(CN4CCOCC4)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
KDM4E B2RXH2 2/20 0.51
HRH3 Q9Y5N1 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
HPGD P15428 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL3018674 1.00 LTA4H (0.55) LTA4HKDM4EHRH3SMN1; SMN2NPC1
SCHEMBL27805654 0.93 LTA4H (0.62) LTA4HKDM4EHRH3SMN1; SMN2NPC1
SCHEMBL3013949 0.87 SMN1; SMN2 (0.59) KDM4EHRH3SMN1; SMN2NPC1RAB9A
SCHEMBL3019038 0.86 SMN1; SMN2 (0.61) KDM4EHRH3SMN1; SMN2NPC1RAB9A
SCHEMBL3018619 0.86 SMN1; SMN2 (0.61) KDM4EHRH3SMN1; SMN2NPC1RAB9A
SCHEMBL27783861 0.86 SMN1; SMN2 (0.58) KDM4EHRH3SMN1; SMN2NPC1RAB9A
SCHEMBL27783835 0.86 GAA (0.67) LTA4HKDM4EHRH3SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6538607 0.83 HTR2A (0.55) LTA4HHRH3SMN1; SMN2NPC1RAB9A
SCHEMBL426993 0.83 HPGD (0.66) KDM4EHRH3SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL1177256 0.82 HPGD (0.64) KDM4EHRH3NPC1RAB9AKMT2A

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 16 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
CN-101765585-B Antibacterial agent 尔察祯有限公司 2017-03-15 CN 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
CN-101765585-A Antibacterial agent ACHAOGEN INC 2010-06-30 CN 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 LTA4H 879/4885KDM4E 4299/4885HRH3 4192/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 LTA4H 879/4885KDM4E 4299/4885HRH3 4192/4885

“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.