SCHEMBL20051246

SCHEMBL20051246

CCC(=O)Nc1c(F)ccc(NC(=O)c2cc(NC(=O)[C@H]3[C@H](c4ccc(F)c(C(F)(F)F)c4)C3(Cl)Cl)ccc2Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM4 Q14833 1/20 0.34
DHODH Q02127 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
HPGD P15428 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
SCHEMBL30739808 1.00 BRAF (0.37) BRAFTSHRKMT2AMEN1LMNA
SCHEMBL20050470 0.94 MEN1 (0.39) BRAFKMT2AMEN1LMNAALDH1A1
SCHEMBL20051084 0.93 MEN1 (0.37) BRAFKMT2AMEN1LMNAALDH1A1
SCHEMBL30739940 0.93 ALDH1A1 (0.40) BRAFKMT2AMEN1LMNAALDH1A1
SCHEMBL20050807 0.93 ALDH1A1 (0.40) BRAFKMT2AMEN1LMNAALDH1A1
SCHEMBL20901105 0.92 MEN1 (0.36) BRAFKMT2AMEN1LMNAALDH1A1
SCHEMBL20050811 0.92 MEN1 (0.36) BRAFKMT2AMEN1LMNAALDH1A1
SCHEMBL20050824 0.92 MEN1 (0.36) BRAFKMT2AMEN1LMNAALDH1A1
SCHEMBL20050563 0.92 KMT2A (0.39) BRAFKMT2AMEN1LMNAALDH1A1
SCHEMBL24281194 0.92 HPGD (0.37) BRAFTSHRKMT2AMEN1LMNA

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 BRAF 3217/4885TSHR 2640/4885KMT2A 2547/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD BRAF 3334/4885TSHR 3272/4885KMT2A 2668/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD BRAF 3334/4885TSHR 3272/4885KMT2A 2668/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD BRAF 3331/4885TSHR 3383/4885KMT2A 2615/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD BRAF 3319/4885TSHR 3687/4885KMT2A 3043/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD BRAF 3217/4885TSHR 2640/4885KMT2A 2547/4885

“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.