SCHEMBL20051277

SCHEMBL20051277

Nc1c(F)cccc1NC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
JAK2 O60674 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KLK7 P49862 1/20 0.48
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
PDK4 Q16654 2/20 0.47
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP14 Q460N5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGS1 P23219 2/20 0.40
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL3596918 0.82 TP53 (0.50) HDAC1JAK2TP53MAPTHTT
SCHEMBL1576313 0.82 PDK1 (0.67) JAK2TP53MAPTHTTKLK7
SCHEMBL3846828 0.80 PTGS1 (0.58) HDAC1JAK2TP53MAPTHTT
SCHEMBL15551470 0.80 HDAC1 (0.55) HDAC1TP53HTTRAB9ANPC1
SCHEMBL6367216 0.79 SMN1; SMN2 (0.56) JAK2TP53MAPTHTTKLK7
SCHEMBL20051393 0.79 PDK1 (0.41) JAK2TP53MAPTHTTKLK7
SCHEMBL14764250 0.79 HTT (0.48) HDAC1JAK2TP53MAPTHTT
SCHEMBL22262468 0.79 MAPT (0.48) HDAC1JAK2TP53MAPTHTT
SCHEMBL29659883 0.79 MAPT (0.48) HDAC1JAK2TP53MAPTHTT
SCHEMBL20051714 0.79 HDAC1 (0.70) HDAC1RAB9ANPC1SMN1; SMN2MEN1

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 9 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-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
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN 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 HDAC1 3295/4885JAK2 3180/4885TP53 4811/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3169/4885JAK2 2470/4885TP53 4775/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD HDAC1 3169/4885JAK2 2470/4885TP53 4775/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD HDAC1 3044/4885JAK2 2264/4885TP53 4761/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD HDAC1 3214/4885JAK2 2465/4885TP53 4737/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HDAC1 3295/4885JAK2 3180/4885TP53 4811/4885

“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.