SCHEMBL17435507

SCHEMBL17435507

O=C(NO)c1cc(-c2ccc(C#CC#CC3CCC(CO)C3)cc2)nc2ccncc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.36
▸ ACACA Q13085 2/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ VCP P55072 2/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ P4HB P07237 1/20 0.33
▸ HTT P42858 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
SCHEMBL19102708 0.94 ACACB (0.38) ACACBACACAMEN1KMT2ARAB9A
SCHEMBL17435570 0.94 MEN1 (0.37) ACACBACACAMEN1KMT2ARAB9A
SCHEMBL19102707 0.88 MEN1 (0.38) ACACBACACAMEN1KMT2ARAB9A
SCHEMBL19102741 0.87 MEN1 (0.35) ACACBACACAMEN1KMT2ARAB9A
SCHEMBL17435537 0.86 MEN1 (0.38) MEN1KMT2ARAB9ACYP2C9DHODH
SCHEMBL17435696 0.86 MEN1 (0.37) MEN1KMT2ARAB9ACYP2C9DHODH
SCHEMBL17435512 0.86 MEN1 (0.37) MEN1KMT2ARAB9ACYP2C9DHODH
SCHEMBL18100454 0.86 MEN1 (0.37) MEN1KMT2ARAB9ACYP2C9DHODH
SCHEMBL17451824 0.86 MEN1 (0.37) MEN1KMT2ARAB9ACYP2C9DHODH
SCHEMBL17435694 0.86 MEN1 (0.37) MEN1KMT2ARAB9ACYP2C9DHODH

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 ACACB 3647/4885ACACA 3038/4885MEN1 2371/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS ACACB 3647/4885ACACA 3038/4885MEN1 2371/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS ACACB 3647/4885ACACA 3038/4885MEN1 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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