SCHEMBL17513278

SCHEMBL17513278

O=C(Nc1ccc(F)nc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ PDK1 Q15118 2/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ PDK3 Q15120 2/20 0.38
▸ PDK4 Q16654 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL15767434 0.76 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDHTTL3MBTL1
SCHEMBL3220102 0.75 CA2 (0.38) SMN1; SMN2PDK1PDK2PDK3PDK4
SCHEMBL15767514 0.75 KMT2A (0.43) ALDH1A1L3MBTL1GAANPC1RAB9A
SCHEMBL22530269 0.72 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2HPGDALOX12HTT
SCHEMBL14376787 0.72 KCNMA1 (0.58) ARALDH1A1SMN1; SMN2PDK1PDK2
SCHEMBL18784583 0.71 PDK1 (0.57) ALDH1A1SMN1; SMN2PDK1PDK2PDK3
SCHEMBL16738929 0.70 AR (0.38) ARALDH1A1SMN1; SMN2PDK1PDK2
SCHEMBL5103222 0.69 PDK1 (0.71) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL30093275 0.69 PDK1 (0.71) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL2090148 0.69 ALDH1A1 (0.69) ALDH1A1PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 — — WO claimed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 — — US disclosed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 — — US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 — — US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 — — 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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 AR 4292/4885ALDH1A1 2330/4885SMN1; SMN2 1086/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 AR 4292/4885ALDH1A1 2330/4885SMN1; SMN2 1086/4885

“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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