SCHEMBL20051080

SCHEMBL20051080

Nc1ccc(Cl)c(C(=O)NCCC(F)(F)F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
PTGES O14684 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MLYCD O95822 1/20 0.35
P2RX7 Q99572 2/20 0.34
HPGD P15428 3/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CSNK1E P49674 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HDAC3 O15379 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL23465364 0.89 MLYCD (0.39) CFTRPTGESLMNASMN1; SMN2MLYCD
SCHEMBL20051076 0.85 SMN1; SMN2 (0.40) CFTRPTGESLMNASMN1; SMN2P2RX7
SCHEMBL30739918 0.84 SLC6A2 (0.42) LMNASMN1; SMN2P2RX7HPGDPOLB
SCHEMBL20050671 0.84 SLC6A2 (0.42) LMNASMN1; SMN2P2RX7HPGDPOLB
SCHEMBL4593067 0.81 L3MBTL1 (0.48) LMNASMN1; SMN2P2RX7HPGDPOLB
SCHEMBL20051581 0.80 CA2 (0.36) CFTRPTGESLMNASMN1; SMN2P2RX7
SCHEMBL30739944 0.79 PTGS2 (0.43) LMNASMN1; SMN2P2RX7HPGDPOLB
SCHEMBL20051092 0.79 PTGS2 (0.43) LMNASMN1; SMN2P2RX7HPGDPOLB
SCHEMBL23465490 0.78 CFTR (0.35) CFTRLMNASMN1; SMN2P2RX7HPGD
SCHEMBL20050668 0.77 PRKCZ (0.49) LMNASMN1; SMN2P2RX7HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2021-05-04 US disclosed
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 US disclosed
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-23 US disclosed
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-04-16 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 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 (6 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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CFTR 1801/4885PTGES 344/4885LMNA 3330/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CFTR 1162/4885PTGES 125/4885LMNA 3336/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD CFTR 1162/4885PTGES 125/4885LMNA 3336/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CFTR 1191/4885PTGES 126/4885LMNA 3364/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD CFTR 1525/4885PTGES 138/4885LMNA 3786/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CFTR 1801/4885PTGES 344/4885LMNA 3330/4885

“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.