SCHEMBL22734243

SCHEMBL22734243

O=C(O)c1nn2ccc(C(F)(F)F)cc2c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
PIN1 Q13526 1/20 0.39
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36

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
SCHEMBL21307805 0.78 CFTR (0.42) POLBKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL20636708 0.78 POLB (0.37) POLBPIN1KMT2AALDH1A1KDM4E
SCHEMBL25251710 0.78 POLB (0.39) POLBPIN1KMT2AALDH1A1GAA
SCHEMBL18365960 0.78 POLB (0.46) POLBPIN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL20636716 0.77 POLB (0.37) POLBPIN1KMT2AALDH1A1KDM4E
SCHEMBL24369209 0.72 ALDH1A1 (0.44) POLBKMT2AALDH1A1HPGDKDM4E
SCHEMBL18366055 0.72 RIPK1 (0.46) POLBPIN1KMT2AALDH1A1HPGD
SCHEMBL2809874 0.71 ALDH1A1 (0.49) POLBKMT2AALDH1A1HPGDKDM4E
SCHEMBL18365959 0.71 PIN1 (0.44) POLBPIN1KMT2AALDH1A1MAT2A
SCHEMBL19538707 0.70 ALOX5 (0.44) KMT2AALDH1A1KDM4EGAAGABRP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-09-28 US disclosed
US-11019821-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-06-01 US disclosed
US-20200383334-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-12-10 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 (3 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-11019821-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE POLB 3922/4885PIN1 1744/4885KMT2A 2060/4885
US-20230303565-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, QSOX1, ACAA2 POLB 4455/4885PIN1 2040/4885KMT2A 1144/4885
US-20200383334-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE POLB 3922/4885PIN1 1744/4885KMT2A 2060/4885

“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.