SCHEMBL11903413

SCHEMBL11903413

O=C(O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1ccn2Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HTT P42858 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ EIF4E P06730 3/20 0.35
▸ ABL1 P00519 1/20 0.35

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
SCHEMBL11902550 0.91 HTT (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11902835 0.85 EGLN1 (0.40) HDAC1HDAC6HDAC4GAA
SCHEMBL12785769 0.85 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11903120 0.85 PPARD (0.38) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL11903226 0.78 HDAC1 (0.39) ALDH1A1SMN1; SMN2HDAC1HDAC6HDAC4
SCHEMBL11903055 0.77 HTT (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11902809 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTL3MBTL1MEN1
SCHEMBL11902905 0.73 HTT (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11903405 0.71 PDE4D (0.37) HDAC1HDAC6HDAC4PPARG
SCHEMBL11903049 0.71 GAA (0.41) ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C19

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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 (1 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO ALDH1A1 718/4885MAPT 4272/4885NPC1 3913/4885

“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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