SCHEMBL11902116

SCHEMBL11902116

Cc1cc2c(C(=O)O)nc(C3CC3)nc2n1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ FEN1 P39748 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL11902719 0.91 SMN1; SMN2 (0.39) ACHEALDH1A1KDM4EKMT2AMEN1
SCHEMBL11902809 0.82 ALDH1A1 (0.42) ACHEALDH1A1KDM4ELMNATDP1
SCHEMBL11903120 0.76 PPARD (0.38) ALDH1A1AGTR1AGTR2KMT2AMEN1
SCHEMBL11903121 0.74 KDM4E (0.36) ACHEALDH1A1KDM4EAGTR1AGTR2
SCHEMBL11903090 0.74 ALDH1A1 (0.41) ACHEALDH1A1KDM4ELMNAKMT2A
SCHEMBL11903055 0.68 HTT (0.42) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL11918131 0.67 ACHE (0.41) ACHEALDH1A1KDM4ELMNATDP1
SCHEMBL1609556 0.65 KDM4E (0.43) ALDH1A1KDM4EKMT2AMEN1SIGMAR1
SCHEMBL6169361 0.65 AGTR1 (0.58) AGTR1AGTR2KMT2AMEN1FEN1
SCHEMBL6170260 0.65 AGTR1 (0.58) KDM4ETDP1AGTR1AGTR2KMT2A

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 ACHE 225/4885ALDH1A1 718/4885KDM4E 3599/4885

“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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