SCHEMBL2468372

SCHEMBL2468372

O=[N+]([O-])c1ccc(OC(=S)Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ ALOX5 P09917 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ GAA P10253 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ BCL9 O00512 1/20 0.49
▸ CTNNB1 P35222 1/20 0.49
▸ CES2 O00748 2/20 0.49
▸ CES1 P23141 2/20 0.49
▸ PKM P14618 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL20377184 0.84 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2ALOX5LMNAGAA
SCHEMBL8741192 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2ALOX5LMNAGAA
SCHEMBL6322393 0.84 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2ALOX5LMNAGAA
SCHEMBL3317227 0.83 GAA (0.56) ALDH1A1SMN1; SMN2LMNAGAABCL9
SCHEMBL27421509 0.81 ALOX5 (0.60) ALDH1A1SMN1; SMN2ALOX5LMNAGAA
SCHEMBL2890042 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAGAAPKM
SCHEMBL457863 0.79 HSPB1 (0.68) ALDH1A1SMN1; SMN2LMNAKDM4EDRD2
SCHEMBL28563483 0.79 GAA (0.51) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL5488824 0.78 BCL9 (0.56) ALDH1A1SMN1; SMN2LMNAGAABCL9
Methane SCHEMBL11686999 0.78 CES2 (0.60) ALDH1A1SMN1; SMN2ALOX5LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410303-B2 Direct conversion of phenols into amides and esters of benzoic acid The Florida State University Research Foundation, Inc. (US) 2013-04-02 — — US disclosed
US-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID The Florida State University Research Foundation, Inc. (US) 2011-09-29 — — 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-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID DDC, NISCH, TST ALDH1A1 1033/4885SMN1; SMN2 4347/4885ALOX5 723/4885

“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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