SCHEMBL17435490

SCHEMBL17435490

O=C(NO)c1cc(-c2ccc(C#CC#CC3CC(O)C3)cc2)nc2cc[n+]([O-])cc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ P4HB P07237 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL19102695 0.91 KLK7 (0.35) KLK7HDAC1MEN1RAB9AKMT2A
SCHEMBL17435544 0.91 ALDH1A1 (0.33) KLK7HDAC1MEN1RAB9AKMT2A
SCHEMBL17435515 0.87 MEN1 (0.33) KLK7HDAC1MEN1RAB9AKMT2A
SCHEMBL17435812 0.86 ALDH1A1 (0.33) KLK7HDAC1MEN1RAB9AKMT2A
SCHEMBL17435537 0.83 MEN1 (0.38) KLK7MEN1RAB9AKMT2AMAPT
SCHEMBL17435628 0.83 ALDH1A1 (0.37) HDAC1MEN1RAB9AKMT2AMAPT
SCHEMBL17435438 0.82 TACR3 (0.37) HDAC1MEN1RAB9AKMT2AMAPT
SCHEMBL19102594 0.82 ALDH1A1 (0.34) KLK7HDAC1MEN1RAB9AKMT2A
SCHEMBL17435665 0.81 TACR3 (0.36) HDAC1MEN1RAB9AKMT2AMAPT
SCHEMBL17435567 0.80 TACR3 (0.36) HDAC1MEN1RAB9AKMT2AMAPT

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 11 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-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 KLK7 1764/4885HDAC1 1326/4885MEN1 2371/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS KLK7 1764/4885HDAC1 1326/4885MEN1 2371/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS KLK7 1764/4885HDAC1 1326/4885MEN1 2371/4885

“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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