SCHEMBL17453185

SCHEMBL17453185

O=C(O)c1cc(-c2ccc(C#CC#C[C@@H]3C[C@H]3CO)cc2)nc2ccncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 9/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ HIF1A Q16665 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL17451844 1.00 DHODH (0.43) DHODHALDH1A1GAAKDM4ELMNA
SCHEMBL19102775 0.93 DHODH (0.45) DHODHALDH1A1GAAKDM4ELMNA
SCHEMBL17435696 0.91 MEN1 (0.37) DHODHALDH1A1GAALMNARAB9A
SCHEMBL17435694 0.91 MEN1 (0.37) DHODHALDH1A1GAALMNARAB9A
SCHEMBL18100454 0.91 MEN1 (0.37) DHODHALDH1A1GAALMNARAB9A
SCHEMBL17451824 0.91 MEN1 (0.37) DHODHALDH1A1GAALMNARAB9A
SCHEMBL17435512 0.91 MEN1 (0.37) DHODHALDH1A1GAALMNARAB9A
SCHEMBL17451845 0.90 PLA2G2A (0.41) DHODHALDH1A1GAAKDM4EHPGD
SCHEMBL17453175 0.90 PLA2G2A (0.41) DHODHALDH1A1GAAKDM4EHPGD
SCHEMBL17451846 0.90 PLA2G2A (0.41) DHODHALDH1A1GAAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 DHODH 563/4885ALDH1A1 1168/4885GAA 74/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS DHODH 563/4885ALDH1A1 1168/4885GAA 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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