SCHEMBL17435537

SCHEMBL17435537

O=C(NO)c1cc(-c2ccc(C#CC#CC3CC(O)C3)cc2)nc2ccncc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ DHODH Q02127 4/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL19102768 0.94 MEN1 (0.40) MEN1KMT2ADHODHCYP2C9CYP3A4
SCHEMBL17435570 0.90 MEN1 (0.37) MEN1KMT2ADHODHCYP2C9CYP3A4
SCHEMBL17435507 0.86 ACACB (0.36) MEN1KMT2ADHODHCYP2C9CYP3A4
SCHEMBL17435694 0.85 MEN1 (0.37) MEN1KMT2ADHODHCYP2C9CYP3A4
SCHEMBL17451824 0.85 MEN1 (0.37) MEN1KMT2ADHODHCYP2C9CYP3A4
SCHEMBL18100454 0.85 MEN1 (0.37) MEN1KMT2ADHODHCYP2C9CYP3A4
SCHEMBL17435512 0.85 MEN1 (0.37) MEN1KMT2ADHODHCYP2C9CYP3A4
SCHEMBL17435696 0.85 MEN1 (0.37) MEN1KMT2ADHODHCYP2C9CYP3A4
SCHEMBL19102695 0.85 KLK7 (0.35) MEN1KMT2ADHODHCYP3A4RAB9A
SCHEMBL19102707 0.84 MEN1 (0.38) MEN1KMT2ADHODHCYP2C9CYP3A4

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 17 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-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-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-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
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 2371/4885KMT2A 4840/4885DHODH 563/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS MEN1 2371/4885KMT2A 4840/4885DHODH 563/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS MEN1 2371/4885KMT2A 4840/4885DHODH 563/4885

“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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