Sugi Predict

Sugi Predict / Compounds / SCHEMBL3604638

SCHEMBL3604638

SCHEMBL3604638

C=C(c1cc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KMT2A Q03164 8/20 0.54
▸ MEN1 O00255 7/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ ABCC9 O60706 1/20 0.52
▸ ABCC8 Q09428 1/20 0.52
▸ KCNJ11 Q14654 1/20 0.52
▸ KCNJ8 Q15842 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ THRA P10827 1/20 0.48

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
SCHEMBL1814042 0.85 ALDH1A1 (0.57) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL1842685 0.84 ALDH1A1 (0.57) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL1825660 0.83 ABCC9 (0.58) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL1823158 0.83 ABCC9 (0.64) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL1812513 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL1813478 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL3936949 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL30755343 0.80 CES2 (0.59) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL540105 0.80 CES2 (0.59) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1812039 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1KMT2AMEN1KDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046765-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-10-17 — — EP disclosed
EP-2046765-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-10-17 — — EP disclosed
CN-101490021-B Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2011-11-02 — — CN disclosed
US-20100048652-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 — — US disclosed
US-20100048652-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 — — US disclosed
US-20100048652-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 — — US disclosed
CN-101490021-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2009-07-22 — — CN disclosed
EP-2046765-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-15 — — EP disclosed
WO-2008012027-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-01-31 — — WO disclosed
WO-2008012027-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-01-31 — — 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-20100048652-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 ALDH1A1 251/4885L3MBTL1 419/4885KMT2A 2740/4885

“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.