SCHEMBL6030503

SCHEMBL6030503

C[C@@H](NC(=O)c1c(Cl)ccnc1Cl)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.48
MEN1 O00255 7/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 2/20 0.43
PKM P14618 2/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL6030604 1.00 KMT2A (0.53) KMT2AMAPK1SMN1; SMN2LMNAGAA
SCHEMBL526159 0.87 KMT2A (0.59) KMT2AMAPK1SMN1; SMN2LMNAGAA
SCHEMBL6031138 0.85 MEN1 (0.41) KMT2AMEN1
SCHEMBL27637680 0.83 KMT2A (0.52) KMT2AMAPK1SMN1; SMN2LMNAGAA
SCHEMBL6029698 0.83 KMT2A (0.52) KMT2AMAPK1SMN1; SMN2LMNAGAA
SCHEMBL3456624 0.83 KMT2A (0.56) KMT2AMAPK1SMN1; SMN2LMNAGAA
SCHEMBL68154 0.83 SLC6A9 (0.38) KMT2AMAPK1SMN1; SMN2MEN1
SCHEMBL6489914 0.83 SLC6A9 (0.38) KMT2AMAPK1MEN1
SCHEMBL6553866 0.81 LMNA (0.60) KMT2AMAPK1SMN1; SMN2LMNAGAA
SCHEMBL27618514 0.78 KMT2A (0.51) KMT2AMAPK1SMN1; SMN2LMNAGAA

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-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 1882/4885SMN1; SMN2 3210/4885
US-20040044040-A1 Pyridinyl amides and imides for use as fungicides CBR1, CBR3, AOC3 KMT2A 2759/4885MAPK1 1077/4885SMN1; SMN2 2714/4885

“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.