SCHEMBL20051587

SCHEMBL20051587

Nc1ccc(F)c(C(=O)Nc2ccccc2)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
HTT P42858 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
FADS1 O60427 2/20 0.43
POLB P06746 1/20 0.43
ATR Q13535 1/20 0.43

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
SCHEMBL30739610 1.00 GAA (0.62) GAAKMT2AMEN1HDAC3HDAC1
SCHEMBL20050845 0.87 CYP1A2 (0.50) GAAKMT2AMEN1HDAC3NPC1
SCHEMBL30739988 0.87 CYP1A2 (0.50) GAAKMT2AMEN1HDAC3NPC1
SCHEMBL20050806 0.84 SMN1; SMN2 (0.51) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL16346420 0.82 GAA (0.59) GAAKMT2AMEN1HDAC3HDAC1
SCHEMBL21174716 0.81 GAA (0.54) GAAKMT2AMEN1HDAC3HDAC1
SCHEMBL20076858 0.81 GAA (0.41) GAAKMT2AMEN1HDAC3HDAC1
SCHEMBL30739749 0.79 JAK2 (0.71) GAAKMT2AMEN1JAK2JAK1
SCHEMBL9744258 0.78 GAA (0.54) GAAKMT2AMEN1HDAC3HDAC1
SCHEMBL19256266 0.78 GAA (0.58) GAAKMT2AMEN1HDAC3HDAC1

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-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 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 GAA 1076/4885KMT2A 2547/4885MEN1 912/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GAA 848/4885KMT2A 2668/4885MEN1 915/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD GAA 848/4885KMT2A 2668/4885MEN1 915/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD GAA 880/4885KMT2A 2615/4885MEN1 1180/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD GAA 862/4885KMT2A 3043/4885MEN1 1462/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD GAA 1076/4885KMT2A 2547/4885MEN1 912/4885

“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.