SCHEMBL25396918

SCHEMBL25396918

O=C(NC[SH](=O)=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ TTR P02766 1/20 0.70
▸ PPOX P50336 1/20 0.70
▸ LMNA P02545 7/20 0.47
▸ MAPT P10636 6/20 0.47
▸ POLB P06746 2/20 0.47
▸ CCR6 P51684 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ FFAR1 O14842 3/20 0.45
▸ GAA P10253 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PYGL P06737 1/20 0.44
▸ STK39 Q9UEW8 1/20 0.41
▸ HPGD P15428 1/20 0.40

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
SCHEMBL11482745 0.89 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768703 0.89 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11475717 0.88 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10993354 0.88 MEN1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775940 0.88 MEN1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11071008 0.88 MEN1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10991967 0.87 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10994712 0.87 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11113824 0.87 MEN1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10441014 0.86 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230284621-A1 HERBICIDAL COMPOSITIONS PBI-GORDON CORPORATION 2023-09-14 — — 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 (1 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-20230284621-A1 HERBICIDAL COMPOSITIONS HPD, CYP4X1, DHX15 TDP1 1612/4885MEN1 4663/4885KMT2A 1154/4885

“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.

Send feedback