SCHEMBL590287

SCHEMBL590287

O=Cc1cccnc1Nc1cc(C(F)(F)F)on1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ LMNA P02545 4/20 0.35
▸ AR P10275 1/20 0.35
▸ EPHX2 P34913 3/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ DHODH Q02127 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ UGT1A1 P22309 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PMP22 Q01453 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
SCHEMBL1376360 0.80 POLB (0.42) TRIM24TRIM33KMT2AMEN1ALDH1A1
SCHEMBL6216036 0.72 LMNA (0.63) LMNAARKMT2ADHODHMEN1
SCHEMBL1376342 0.67 DHODH (0.56) TRIM24TRIM33LMNAKMT2ADHODH
SCHEMBL10682704 0.67 ERN1 (0.43) TRIM24TRIM33LMNAKMT2ADHODH
SCHEMBL9402324 0.67 DHODH (0.57) TRIM24TRIM33LMNAKMT2ADHODH
SCHEMBL10674155 0.67 LMNA (0.59) LMNAKMT2ADHODHMEN1GMNN
SCHEMBL16627420 0.67 ALDH1A1 (0.44) TRIM24TRIM33LMNAALDH1A1CYP1A2
SCHEMBL7276191 0.66 MAPT (0.57) TRIM24TRIM33DHODHALDH1A1POLB
SCHEMBL16389001 0.66 TRIM24 (0.42) TRIM24TRIM33KMT2APTGS1PTGS2
SCHEMBL8835541 0.66 GRM4 (0.50) TRIM24TRIM33LMNAKMT2ADHODH

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
US-8450243-B2 Herbicidal quinoline and 1,8-naphthyridine compounds SYNGENTA LIMITED (GB) 2013-05-28 — — US disclosed
EP-2417132-B1 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS SYNGENTA LTD (GB) 2013-04-17 — — EP disclosed
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-04-19 — — US disclosed
EP-2417132-A2 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS Syngenta Limited (GB) 2012-02-15 — — EP disclosed
WO-2010116122-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-14 — — WO 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-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS NQO2, QDPR, CYP4X1 TRIM24 4679/4885TRIM33 3829/4885LMNA 4058/4885

“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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