SCHEMBL6031333

SCHEMBL6031333

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR2 O95136 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.36
BDKRB1 P46663 2/20 0.36
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35
BAK1 Q16611 1/20 0.35
CNR1 P21554 1/20 0.35
MEN1 O00255 1/20 0.35
PTGER4 P35408 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL6030958 0.88 MAPK1 (0.37) S1PR1S1PR3MAPK1ALDH1A1SMN1; SMN2
SCHEMBL6480485 0.88 SMN1; SMN2 (0.37) S1PR1S1PR3MAPK1ALDH1A1SMN1; SMN2
SCHEMBL6029698 0.85 KMT2A (0.52) MAPK1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3457566 0.85 S1PR3 (0.40) S1PR1S1PR3S1PR2KMT2ABDKRB1
SCHEMBL6031138 0.81 MEN1 (0.41) S1PR1S1PR3S1PR2KMT2AMEN1
SCHEMBL3457836 0.80 PTGER4 (0.43) S1PR1S1PR3ALDH1A1KMT2ACNR1
SCHEMBL6029625 0.74 KMT2A (0.43) MAPK1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL6905404 0.72 TAAR1 (0.43) MAPK1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL68154 0.70 SLC6A9 (0.38) S1PR1S1PR3MAPK1SMN1; SMN2KMT2A
SCHEMBL6489914 0.70 SLC6A9 (0.38) MAPK1KMT2AP2RX3P2RX2MEN1

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 11 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
EP-1322614-A2 PYRIDINYL AMIDES AND IMIDES FOR USE AS FUNGICIDES E. I. du Pont de Nemours and Company (US) 2003-07-02 EP claimed
WO-2002022583-A2 PYRIDINYL AMIDES AND IMIDES FOR USE AS FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-03-21 WO 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-20050020643-A1 Pyridinyl amides and compositions thereof for use as fungicides E.I. DU PONT DE NEMOURS AND COMPANY 2005-01-27 US disclosed
EP-1485355-A2 PYRIDINYL AMIDES AND COMPOSITIONS THEREOF FOR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-12-15 EP 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
WO-2003080576-A2 PYRIDINYL AMIDES AND COMPOSITIONS THEREOF FOR USE AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-02 WO disclosed
EP-1322614-A2 PYRIDINYL AMIDES AND IMIDES FOR USE AS FUNGICIDES E. I. du Pont de Nemours and Company (US) 2003-07-02 EP disclosed
WO-2002022583-A2 PYRIDINYL AMIDES AND IMIDES FOR USE AS FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-03-21 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 (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-20040044040-A1 Pyridinyl amides and imides for use as fungicides CBR1, CBR3, AOC3 S1PR1 475/4885S1PR3 449/4885MAPK1 1077/4885
US-20050020643-A1 Pyridinyl amides and compositions thereof for use as fungicides ME3, CYC1, ME2 S1PR1 1173/4885S1PR3 1667/4885MAPK1 1587/4885

“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.