SCHEMBL17435515

SCHEMBL17435515

O=C(NO)c1cc(-c2ccc(C#CC#CC3CCC(CO)C3)cc2)nc2cc[n+]([O-])cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACACB O00763 4/20 0.32
▸ ACACA Q13085 3/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ P4HB P07237 1/20 0.32
▸ KLK7 P49862 1/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ KDM4E B2RXH2 4/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TACR3 P29371 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ VCP P55072 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL17435544 0.94 ALDH1A1 (0.33) MEN1RAB9AKMT2AACACBALDH1A1
SCHEMBL19102741 0.93 MEN1 (0.35) MEN1RAB9AKMT2AACACBACACA
SCHEMBL19102594 0.88 ALDH1A1 (0.34) MEN1RAB9AKMT2AACACBACACA
SCHEMBL17435490 0.87 KLK7 (0.34) MEN1RAB9AKMT2AALDH1A1GAA
SCHEMBL17435812 0.86 ALDH1A1 (0.33) MEN1RAB9AKMT2AALDH1A1GAA
SCHEMBL17435507 0.85 ACACB (0.36) MEN1RAB9AKMT2AACACBACACA
SCHEMBL17435628 0.82 ALDH1A1 (0.37) MEN1RAB9AKMT2AALDH1A1GAA
SCHEMBL17435665 0.81 TACR3 (0.36) MEN1RAB9AKMT2AALDH1A1GAA
SCHEMBL19102695 0.80 KLK7 (0.35) MEN1RAB9AKMT2AALDH1A1GAA
SCHEMBL19102843 0.80 ALDH1A1 (0.34) MEN1RAB9AKMT2AACACBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 — — US claimed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 — — US claimed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 — — US claimed
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 — — US disclosed
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 — — US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 — — US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 — — US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 — — US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 — — US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 — — US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 — — US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 — — US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 — — 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 (3 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-20160016895-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS MEN1 2371/4885RAB9A 671/4885KMT2A 4840/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS MEN1 2371/4885RAB9A 671/4885KMT2A 4840/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS MEN1 2371/4885RAB9A 671/4885KMT2A 4840/4885

“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.

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