SCHEMBL17435628

SCHEMBL17435628

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ P4HB P07237 1/20 0.37
▸ TACR3 P29371 4/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CA12 O43570 1/20 0.33

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
SCHEMBL17435665 0.93 TACR3 (0.36) ALDH1A1LMNAGAAMAPTP4HB
SCHEMBL19102703 0.90 ALDH1A1 (0.38) ALDH1A1LMNAGAAMAPTP4HB
SCHEMBL17435772 0.89 TACR3 (0.35) ALDH1A1LMNAGAAMAPTP4HB
SCHEMBL17435567 0.87 TACR3 (0.36) ALDH1A1LMNAGAAMAPTP4HB
SCHEMBL17435819 0.87 HDAC1 (0.36) ALDH1A1LMNATACR3HDAC1KDM4E
SCHEMBL17435610 0.87 TACR3 (0.36) ALDH1A1LMNAGAAMAPTP4HB
SCHEMBL17435438 0.86 TACR3 (0.37) ALDH1A1LMNAGAAMAPTP4HB
SCHEMBL17435672 0.85 HDAC1 (0.37) ALDH1A1LMNAGAAMAPTP4HB
SCHEMBL17435544 0.84 ALDH1A1 (0.33) ALDH1A1LMNAGAAMAPTP4HB
SCHEMBL17435812 0.84 ALDH1A1 (0.33) ALDH1A1LMNAGAAMAPTP4HB

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 ALDH1A1 1168/4885LMNA 3308/4885GAA 74/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS ALDH1A1 1168/4885LMNA 3308/4885GAA 74/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS ALDH1A1 1168/4885LMNA 3308/4885GAA 74/4885

“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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