Sugi Predict

Sugi Predict / Compounds / SCHEMBL6029698

SCHEMBL6029698

SCHEMBL6029698

Cc1cc(Cl)c(C(=O)NC(C)c2ncc(C(F)(F)F)cc2Cl)c(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ PKM P14618 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PDE2A O00408 1/20 0.40

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
SCHEMBL3456624 0.86 KMT2A (0.56) KMT2AMAPK1GAASMN1; SMN2LMNA
SCHEMBL6031333 0.85 S1PR1 (0.40) KMT2AMAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL27618514 0.84 KMT2A (0.51) KMT2AMAPK1GAASMN1; SMN2LMNA
SCHEMBL6030503 0.83 KMT2A (0.53) KMT2AMAPK1GAASMN1; SMN2LMNA
SCHEMBL6030604 0.83 KMT2A (0.53) KMT2AMAPK1GAASMN1; SMN2LMNA
SCHEMBL6480485 0.83 SMN1; SMN2 (0.37) KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6030958 0.83 MAPK1 (0.37) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL526159 0.82 KMT2A (0.59) KMT2AMAPK1GAASMN1; SMN2LMNA
SCHEMBL6553866 0.77 LMNA (0.60) KMT2AMAPK1GAASMN1; SMN2LMNA
SCHEMBL6030344 0.77 CYP1A2 (0.48) KMT2AMAPK1GAASMN1; SMN2ALDH1A1

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-7074742-B2 Pyridinyl amides and imides for use as fungicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-07-11 — — US claimed
US-20040044040-A1 Pyridinyl amides and imides for use as fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2004-03-04 — — US claimed
US-7074742-B2 Pyridinyl amides and imides for use as fungicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-07-11 — — US disclosed
US-20050009889-A1 Synergistic fungicide compositions containing at least one n-(2-pyridinyl) 1-3-pyridinecarboxamide derivative and one or more further fungicides useful for controlling fungal plant diseases E.I. DU PONE DE NEMOURS AND COMPANY 2005-01-13 — — US disclosed
US-20040044040-A1 Pyridinyl amides and imides for use as fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2004-03-04 — — 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 (2 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-20050009889-A1 Synergistic fungicide compositions containing at least one n-(2-pyridinyl) 1-3-pyridinecarboxamide derivative and one or more further fungicides useful for controlling fungal plant diseases CYC1, ME3, CYP11B1 KMT2A 2462/4885MAPK1 1882/4885GAA 1285/4885
US-20040044040-A1 Pyridinyl amides and imides for use as fungicides CBR1, CBR3, AOC3 KMT2A 2759/4885MAPK1 1077/4885GAA 3083/4885

“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.