SCHEMBL17451824

SCHEMBL17451824

O=C(NO)c1cc(-c2ccc(C#CC#CC3C[C@H]3CO)cc2)nc2ccncc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ CYP2C9 P11712 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ DHODH Q02127 4/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ P4HB P07237 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TSHR P16473 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
SCHEMBL18100454 1.00 MEN1 (0.37) MEN1KMT2ACYP2C9CYP3A4DHODH
SCHEMBL17435694 1.00 MEN1 (0.37) MEN1KMT2ACYP2C9CYP3A4DHODH
SCHEMBL17435696 1.00 MEN1 (0.37) MEN1KMT2ACYP2C9CYP3A4DHODH
SCHEMBL17435512 1.00 MEN1 (0.37) MEN1KMT2ACYP2C9CYP3A4DHODH
SCHEMBL19102744 0.94 MEN1 (0.38) MEN1KMT2ACYP2C9CYP3A4DHODH
SCHEMBL17451844 0.91 DHODH (0.43) CYP2C9DHODHALDH1A1GAALMNA
SCHEMBL17453185 0.91 DHODH (0.43) CYP2C9DHODHALDH1A1GAALMNA
SCHEMBL17451845 0.89 PLA2G2A (0.41) MEN1KMT2ADHODHMAPTALDH1A1
SCHEMBL17453175 0.89 PLA2G2A (0.41) MEN1KMT2ADHODHMAPTALDH1A1
SCHEMBL17451846 0.89 PLA2G2A (0.41) MEN1KMT2ADHODHMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4840/4885CYP2C9 527/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS MEN1 2371/4885KMT2A 4840/4885CYP2C9 527/4885

“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.

Send feedback