SCHEMBL20050845

SCHEMBL20050845

Nc1ccc(F)c(C(=O)Nc2ccc(F)cc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CDK2 P24941 5/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CDK1 P06493 4/20 0.47
CCNB1 P14635 4/20 0.47
CCNA2 P20248 4/20 0.47
PTPN1 P18031 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MITF O75030 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
SNCA P37840 1/20 0.45
CCNA1 P78396 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL30739988 1.00 CYP1A2 (0.50) CYP1A2CYP2C9CDK2LMNAALDH1A1
SCHEMBL20050806 0.88 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL20051587 0.87 GAA (0.62) CDK2LMNACDK1CCNB1CCNA2
SCHEMBL30739610 0.87 GAA (0.62) CDK2LMNACDK1CCNB1CCNA2
SCHEMBL23465638 0.81 CYP1A2 (0.48) CYP1A2CYP2C9CDK2LMNAALDH1A1
SCHEMBL20076658 0.81 ALDH1A1 (0.41) CYP1A2CYP2C9CDK2LMNAALDH1A1
SCHEMBL30739975 0.80 HDAC1 (0.54) CYP1A2LMNAALDH1A1NPC1RAB9A
SCHEMBL20050849 0.80 HDAC1 (0.54) CYP1A2LMNAALDH1A1NPC1RAB9A
SCHEMBL288303 0.79 KMT2A (0.51) CYP1A2CYP2C9CDK2LMNAALDH1A1
SCHEMBL30739821 0.78 JAK2 (0.69) CDK2LMNACDK1CCNB1CCNA2

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-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-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 CYP1A2 673/4885CYP2C9 433/4885CDK2 3414/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP1A2 666/4885CYP2C9 250/4885CDK2 3626/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD CYP1A2 666/4885CYP2C9 250/4885CDK2 3626/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CYP1A2 732/4885CYP2C9 379/4885CDK2 3368/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD CYP1A2 775/4885CYP2C9 326/4885CDK2 3645/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP1A2 673/4885CYP2C9 433/4885CDK2 3414/4885

“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.