SCHEMBL20051092

SCHEMBL20051092

Nc1ccc(Cl)c(C(=O)NCCCCl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 2/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
KMT2A Q03164 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
P2RX7 Q99572 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30739944 1.00 PTGS2 (0.43) PTGS2LMNASMN1; SMN2HPGDHDAC1
SCHEMBL20050671 0.83 SLC6A2 (0.42) LMNASMN1; SMN2HPGDHDAC1HDAC3
SCHEMBL30739918 0.83 SLC6A2 (0.42) LMNASMN1; SMN2HPGDHDAC1HDAC3
SCHEMBL4593067 0.83 L3MBTL1 (0.48) LMNASMN1; SMN2HPGDTP53MDM2
SCHEMBL30739840 0.80 PRKCZ (0.49) LMNASMN1; SMN2HPGDHDAC1KMT2A
SCHEMBL20050668 0.80 PRKCZ (0.49) LMNASMN1; SMN2HPGDHDAC1KMT2A
SCHEMBL20051080 0.79 CFTR (0.42) LMNASMN1; SMN2HPGDHDAC3P2RX7
SCHEMBL23465663 0.78 PTGS2 (0.41) PTGS2HPGDHDAC1KMT2APOLB
SCHEMBL23465364 0.77 MLYCD (0.39) LMNASMN1; SMN2HPGDCA1CA2
SCHEMBL28316735 0.77 ALDH1A1 (0.48) PTGS2LMNASMN1; SMN2HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
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 PTGS2 879/4885LMNA 3330/4885SMN1; SMN2 3531/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD PTGS2 637/4885LMNA 3336/4885SMN1; SMN2 3694/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD PTGS2 637/4885LMNA 3336/4885SMN1; SMN2 3694/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD PTGS2 606/4885LMNA 3364/4885SMN1; SMN2 3645/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD PTGS2 601/4885LMNA 3786/4885SMN1; SMN2 3567/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD PTGS2 879/4885LMNA 3330/4885SMN1; SMN2 3531/4885

“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.