SCHEMBL11903121

SCHEMBL11903121

COc1c(Cl)ccc(-c2nc(C(=O)O)c3cc(C)n(Cc4ccccc4[N+](=O)[O-])c3n2)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CCR2 P41597 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ EIF4E P06730 1/20 0.33

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
SCHEMBL11903193 0.94 HTT (0.41) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL11903174 0.87 CCR2 (0.41) PPARGCCR2
SCHEMBL11903120 0.84 PPARD (0.38) ALDH1A1MEN1KMT2AHTTAGTR1
SCHEMBL11903292 0.83 ALDH1A1 (0.34) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL11903164 0.82 CCR2 (0.38) ALDH1A1PPARGSMN1; SMN2CCR2
SCHEMBL11903055 0.79 HTT (0.42) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL11913422 0.79 NOTUM (0.36) —
SCHEMBL11902965 0.78 HTT (0.39) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL11902918 0.75 TSHR (0.42) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL118965 0.74 HTT (0.44) KDM4EALDH1A1MEN1KMT2AHTT

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 KDM4E 3599/4885ALDH1A1 718/4885MEN1 4608/4885

“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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