SCHEMBL2184424

SCHEMBL2184424

O=C1NC(=S)S/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.84
ALDH1A1 P00352 3/20 0.84
LMNA P02545 1/20 0.84
GAA P10253 1/20 0.84
HPGD P15428 1/20 0.84
RAB9A P51151 2/20 0.62
BLM P54132 1/20 0.61
MMP3 P08254 2/20 0.57
MMP13 P45452 2/20 0.57
GSK3B P49841 2/20 0.56
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
IDH1 O75874 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CLK1 P49759 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL17183508 1.00 MAPT (0.84) MAPTALDH1A1LMNAGAAHPGD
SCHEMBL2184426 1.00 MAPT (0.84) MAPTALDH1A1LMNAGAAHPGD
SCHEMBL1250835 0.82 CRHBP (0.71) RAB9AGSK3BCRHBPCRHR2IDH1
SCHEMBL1250831 0.82 CRHBP (0.71) RAB9AGSK3BCRHBPCRHR2IDH1
SCHEMBL15091291 0.82 CRHBP (0.71) RAB9AGSK3BCRHBPCRHR2IDH1
SCHEMBL4053689 0.78 CRHBP (0.58) MAPTALDH1A1LMNAGAAHPGD
SCHEMBL4053687 0.78 CRHBP (0.58) MAPTALDH1A1LMNAGAAHPGD
SCHEMBL3138641 0.77 MAPT (0.81) MAPTALDH1A1LMNAGAAHPGD
SCHEMBL3138638 0.77 MAPT (0.81) MAPTALDH1A1LMNAGAAHPGD
SCHEMBL7969788 0.75 MMP3 (0.67) GAAHPGDRAB9AMMP3MMP13

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-9066951-B2 Drugs to treat HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-06-30 US disclosed
US-20110165220-A1 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-07-07 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-20110165220-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A MAPT 4500/4885ALDH1A1 458/4885LMNA 1743/4885

“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.