SCHEMBL11903120

SCHEMBL11903120

Cc1cc2c(C(=O)O)nc(-c3ccc(Cl)c(F)c3)nc2n1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 3/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ AGTR1 P30556 1/20 0.37
▸ AGTR2 P50052 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ EIF4E P06730 4/20 0.36
▸ PSD A5PKW4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCR2 P41597 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 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
SCHEMBL11903055 0.92 HTT (0.42) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL11902957 0.86 NOTUM (0.40) PPARDPPARAPPARGALDH1A1MEN1
SCHEMBL11903413 0.85 ALDH1A1 (0.39) PPARGALDH1A1MAPTEIF4EMEN1
SCHEMBL11903121 0.84 KDM4E (0.36) PPARGAGTR1AGTR2ALDH1A1EIF4E
SCHEMBL11902325 0.79 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11902550 0.78 HTT (0.45) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11903193 0.78 HTT (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11902760 0.77 NOTUM (0.39) —
SCHEMBL11902116 0.76 ACHE (0.40) AGTR1AGTR2ALDH1A1MEN1KMT2A
SCHEMBL1653854 0.73 GCGR (0.37) PPARDPPARAALDH1A1ABL1

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 PPARD 553/4885PPARA 678/4885PPARG 236/4885

“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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