SCHEMBL18212630

SCHEMBL18212630

Cc1ccc(Oc2ccc([N+](=O)[O-])c(C(=O)NS(C)(=O)=O)c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.58
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ TTR P02766 1/20 0.51
▸ PPOX P50336 1/20 0.51
▸ SCN9A Q15858 6/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TBXA2R P21731 3/20 0.43
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PYGL P06737 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL10668735 0.91 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10667783 0.91 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11367437 0.89 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11272095 0.87 TDP1 (0.55) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL39607 0.86 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL30120750 0.86 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL8539654 0.86 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL16881788 0.86 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL29366195 0.86 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL467115 0.85 TDP1 (0.70) 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-20160324154-A1 Herbicidal mixtures comprising imazethapyr, imazamox and fomesafen, sulfentrazone or bentazone BASF AGROCHEMICAL PRODUCTS B.V. (NL) 2016-11-10 — — 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 (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-20160324154-A1 Herbicidal mixtures comprising imazethapyr, imazamox and fomesafen, sulfentrazone or bentazone DDT, MSRB3, DHFR TDP1 3237/4885MEN1 2773/4885KMT2A 1341/4885

“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.

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