SCHEMBL17435610

SCHEMBL17435610

CC(C#CC#Cc1ccc(-c2cc(C(=O)NO)c3c[n+]([O-])ccc3n2)cc1)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 11/20 0.36
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ P4HB P07237 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TACR2 P21452 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ DHODH Q02127 2/20 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
SCHEMBL19102747 0.91 TACR3 (0.37) TACR3LMNATP53HDAC1ALDH1A1
SCHEMBL17435438 0.91 TACR3 (0.37) TACR3LMNATP53HDAC1ALDH1A1
SCHEMBL17435567 0.90 TACR3 (0.36) TACR3LMNATP53HDAC1ALDH1A1
SCHEMBL17435672 0.90 HDAC1 (0.37) TACR3LMNATP53HDAC1ALDH1A1
SCHEMBL17435628 0.87 ALDH1A1 (0.37) TACR3LMNAHDAC1ALDH1A1GAA
SCHEMBL17435772 0.85 TACR3 (0.35) TACR3LMNATP53HDAC1ALDH1A1
SCHEMBL17435819 0.85 HDAC1 (0.36) TACR3LMNATP53HDAC1ALDH1A1
SCHEMBL17435665 0.85 TACR3 (0.36) TACR3LMNAHDAC1ALDH1A1GAA
SCHEMBL17435505 0.83 DHODH (0.39) TACR3LMNATP53HDAC1ALDH1A1
SCHEMBL19102694 0.82 TACR3 (0.38) TACR3LMNATP53HDAC1ALDH1A1

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 TACR3 2668/4885LMNA 3308/4885TP53 4544/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS TACR3 2668/4885LMNA 3308/4885TP53 4544/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS TACR3 2668/4885LMNA 3308/4885TP53 4544/4885

“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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