SCHEMBL20767924

SCHEMBL20767924

O=[N+]([O-])c1cc(F)c2sc(S)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.36
TXNRD3 Q86VQ6 2/20 0.36
TXNRD2 Q9NNW7 2/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
HIF1A Q16665 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL20767914 0.81 ALDH1A1 (0.38) TXNRD1TXNRD3TXNRD2ALDH1A1SMN1; SMN2
SCHEMBL3661945 0.74 AKR1B1 (0.36) ALDH1A1SMN1; SMN2TDP1HTTMEN1
SCHEMBL2002714 0.71 RIPK1 (0.52) TXNRD1TXNRD3TXNRD2ALDH1A1SMN1; SMN2
SCHEMBL29361660 0.71 RIPK1 (0.52) TXNRD1TXNRD3TXNRD2ALDH1A1SMN1; SMN2
SCHEMBL20588775 0.69 CYP19A1 (0.48) ALDH1A1SMN1; SMN2TDP1HTTCYP3A4
SCHEMBL1247145 0.68 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2TDP1HTTCYP3A4
SCHEMBL1137222 0.66 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TDP1HTTCYP3A4
SCHEMBL239666 0.65 CYP19A1 (0.52) ALDH1A1SMN1; SMN2TDP1HTTCYP3A4
Dinitrophenylene SCHEMBL10796281 0.64 MAPT (0.55) ALDH1A1SMN1; SMN2TDP1HTTCYP3A4
SCHEMBL24603533 0.64 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TDP1HTTCYP3A4

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-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 US disclosed
US-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof Wu, Xiao Hua (US) 2019-03-05 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-10221168-B1 Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof MAN2A1, MAN1B1, ALG1 TXNRD1 4534/4885TXNRD3 4435/4885TXNRD2 4712/4885

“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.