SCHEMBL6480485

SCHEMBL6480485

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 2/20 0.36
P2RX3 P56373 6/20 0.33
P2RX2 Q9UBL9 6/20 0.33
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
BCL2A1 Q16548 1/20 0.32
BAK1 Q16611 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
BDKRB1 P46663 1/20 0.31
PHGDH O43175 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL6031333 0.88 S1PR1 (0.40) SMN1; SMN2MAPK1ALDH1A1POLBP2RX3
SCHEMBL6030958 0.86 MAPK1 (0.37) SMN1; SMN2MAPK1ALDH1A1POLBP2RX3
SCHEMBL6029698 0.83 KMT2A (0.52) SMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL6489914 0.82 SLC6A9 (0.38) MAPK1P2RX3P2RX2KMT2ANPC1
SCHEMBL6481161 0.75 MEN1 (0.39) SMN1; SMN2MAPK1ALDH1A1POLBKMT2A
SCHEMBL6907976 0.74 TAAR1 (0.41) SMN1; SMN2MAPK1ALDH1A1POLBKMT2A
SCHEMBL3457566 0.73 S1PR3 (0.40) P2RX3P2RX2BCL2BCL2L1MCL1
SCHEMBL6031138 0.70 MEN1 (0.41) KMT2AS1PR1S1PR3
SCHEMBL3456624 0.68 KMT2A (0.56) SMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL68154 0.68 SLC6A9 (0.38) SMN1; SMN2MAPK1KMT2ANPC1RAB9A

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-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
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

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-20050020643-A1 Pyridinyl amides and compositions thereof for use as fungicides ME3, CYC1, ME2 SMN1; SMN2 3884/4885MAPK1 1587/4885ALDH1A1 1201/4885

“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.