SCHEMBL20051024

SCHEMBL20051024

O=C(Nc1ccc(F)c(NC(=O)C(Br)CC(F)(F)F)c1F)c1cc(NC(=O)[C@H]2[C@H](c3ccc(F)c(C(F)(F)F)c3)C2(Cl)Cl)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
LMNA P02545 2/20 0.34
BRAF P15056 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GRM4 Q14833 2/20 0.32
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KDR P35968 1/20 0.31
PDK1 Q15118 1/20 0.30

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
SCHEMBL20051201 0.92 KMT2A (0.36) MEN1KMT2ALMNABRAFKDM4E
SCHEMBL20050844 0.92 KMT2A (0.34) MEN1KMT2ALMNABRAFKDM4E
SCHEMBL20051640 0.91 KMT2A (0.35) MEN1KMT2ALMNABRAFKDM4E
SCHEMBL20050883 0.90 PDK1 (0.41) MEN1KMT2ALMNABRAFKDM4E
SCHEMBL24288299 0.90 KMT2A (0.37) MEN1KMT2ALMNABRAFKDM4E
SCHEMBL20050471 0.89 KMT2A (0.36) MEN1KMT2ALMNABRAFKDM4E
SCHEMBL20051641 0.89 KMT2A (0.36) MEN1KMT2ALMNABRAFKDM4E
SCHEMBL30739849 0.89 KMT2A (0.36) MEN1KMT2ALMNABRAFKDM4E
SCHEMBL20051093 0.89 KMT2A (0.35) MEN1KMT2ALMNABRAFKDM4E
SCHEMBL20051260 0.88 KMT2A (0.35) MEN1KMT2ALMNABRAFKDM4E

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-3971166-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Corteva Agriscience LLC (US) 2022-03-23 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 MEN1 912/4885KMT2A 2547/4885LMNA 3330/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD MEN1 915/4885KMT2A 2668/4885LMNA 3336/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD MEN1 915/4885KMT2A 2668/4885LMNA 3336/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD MEN1 1180/4885KMT2A 2615/4885LMNA 3364/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD MEN1 1462/4885KMT2A 3043/4885LMNA 3786/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD MEN1 912/4885KMT2A 2547/4885LMNA 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.