SCHEMBL20051269

SCHEMBL20051269

CO[C@H](C)C(=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 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
BRAF P15056 2/20 0.34
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
BACE1 P56817 1/20 0.33
KDR P35968 1/20 0.32
GRM4 Q14833 2/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32

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
SCHEMBL20051281 1.00 KMT2A (0.35) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL21015086 1.00 KMT2A (0.35) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL20050476 1.00 KMT2A (0.35) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL21015084 1.00 KMT2A (0.35) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL20051095 0.94 KMT2A (0.34) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL20051097 0.94 KMT2A (0.34) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL23340610 0.94 KMT2A (0.36) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL20050838 0.93 KMT2A (0.34) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL30739849 0.93 KMT2A (0.36) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL20051641 0.93 KMT2A (0.36) KMT2AMEN1MAPTLMNAALDH1A1

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 KMT2A 2547/4885MEN1 912/4885MAPT 3497/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD KMT2A 2668/4885MEN1 915/4885MAPT 3414/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD KMT2A 2668/4885MEN1 915/4885MAPT 3414/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD KMT2A 2615/4885MEN1 1180/4885MAPT 3431/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD KMT2A 3043/4885MEN1 1462/4885MAPT 3342/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD KMT2A 2547/4885MEN1 912/4885MAPT 3497/4885

“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.