SCHEMBL20051076

SCHEMBL20051076

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
P2RX7 Q99572 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33
PTGES O14684 1/20 0.33
CFTR P13569 3/20 0.33
PRKCZ Q05513 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
SCHEMBL20051581 0.88 CA2 (0.36) SMN1; SMN2P2RX7ALDH1A1HPGDKDM4E
SCHEMBL23465490 0.86 CFTR (0.35) SMN1; SMN2P2RX7ALDH1A1HPGDKDM4E
SCHEMBL20051080 0.85 CFTR (0.42) SMN1; SMN2P2RX7ALDH1A1HPGDKDM4E
SCHEMBL23465364 0.80 MLYCD (0.39) SMN1; SMN2P2RX7ALDH1A1HPGDKDM4E
SCHEMBL20050671 0.80 SLC6A2 (0.42) SMN1; SMN2P2RX7ALDH1A1HPGDKDM4E
SCHEMBL30739918 0.80 SLC6A2 (0.42) SMN1; SMN2P2RX7ALDH1A1HPGDKDM4E
SCHEMBL20050668 0.80 PRKCZ (0.49) SMN1; SMN2P2RX7ALDH1A1HPGDKDM4E
SCHEMBL30739840 0.80 PRKCZ (0.49) SMN1; SMN2P2RX7ALDH1A1HPGDKDM4E
SCHEMBL23465660 0.78 SMN1; SMN2 (0.40) SMN1; SMN2LOXL2ALDH1A1HPGDPTGS2
SCHEMBL4593067 0.77 L3MBTL1 (0.48) SMN1; SMN2P2RX7ALDH1A1HPGDKDM4E

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 SMN1; SMN2 3531/4885LOXL2 1648/4885P2RX7 195/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD SMN1; SMN2 3694/4885LOXL2 994/4885P2RX7 430/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD SMN1; SMN2 3694/4885LOXL2 994/4885P2RX7 430/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD SMN1; SMN2 3645/4885LOXL2 1050/4885P2RX7 295/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD SMN1; SMN2 3567/4885LOXL2 1442/4885P2RX7 336/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD SMN1; SMN2 3531/4885LOXL2 1648/4885P2RX7 195/4885

“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.