SCHEMBL25067331

SCHEMBL25067331

O=C(OCC#CSP(I)I)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
GAA P10253 3/20 0.45
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 2/20 0.42
MAPT P10636 4/20 0.39
MGLL Q99685 2/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HGFAC Q04756 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL11301568 0.81 HTR2A (0.52) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL27410089 0.79 HTR2A (0.52) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL19554277 0.78 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL25764 0.75 HTR2A (0.57) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL409598 0.75 HTR2A (0.59) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL15827269 0.74 HTR2A (0.53) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL27048037 0.74 HTR2A (0.56) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL5526504 0.73 HTR2A (0.58) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL5491115 0.73 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL26374 0.72 GAA (0.65) HTR2AGAABCL9CTNNB1ALDH1A1

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-20230057033-A1 FLUOROGENIC BETA-LACTAMASE SUBSTRATE AND ASSOCIATED DETECTION METHOD MOLSID (FR) 2023-02-23 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-20230057033-A1 FLUOROGENIC BETA-LACTAMASE SUBSTRATE AND ASSOCIATED DETECTION METHOD GLB1, MGAM, GUSB HTR2A 4080/4885GAA 5/4885BCL9 1833/4885

“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.