SCHEMBL6785692

SCHEMBL6785692

O=C(ON1C(=O)CSC1=S)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.55
▸ GSK3B P49841 4/20 0.55
▸ KMT2A Q03164 10/20 0.50
▸ MAPT P10636 8/20 0.45
▸ GAA P10253 6/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ THRB P10828 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ F2 P00734 1/20 0.40
▸ LMNA P02545 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
SCHEMBL19309377 0.76 KMT2A (0.53) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL133554 0.76 KMT2A (0.53) KMT2AMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL1194880 0.75 GSK3A (0.47) GSK3AGSK3BKMT2AMAPTGAA
SCHEMBL5956031 0.74 GSK3A (0.57) GSK3AGSK3BKMT2AMAPTGAA
SCHEMBL8580463 0.73 KMT2A (0.46) GSK3AGSK3BKMT2AMAPTGAA
SCHEMBL4024104 0.73 F2 (0.45) KMT2AMAPTMAPK1SMN1; SMN2MEN1
SCHEMBL6791958 0.71 KMT2A (0.44) GSK3AGSK3BKMT2AMAPTGAA
SCHEMBL7800922 0.71 MAPT (0.41) GSK3AGSK3BKMT2AMAPTGAA
SCHEMBL76714 0.71 KMT2A (0.48) KMT2AMAPTMAPK1SMN1; SMN2HSD17B10
SCHEMBL4020526 0.71 F2 (0.42) GSK3AGSK3BKMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases WYETH 2004-10-07 — — US disclosed
US-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2003-10-16 — — US disclosed
EP-1128832-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-03-05 — — EP disclosed
EP-1128832-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-09-05 — — EP disclosed
WO-2000010573-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-02 — — WO 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 (2 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-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG GSK3A 4698/4885GSK3B 4757/4885KMT2A 1754/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG GSK3A 4698/4885GSK3B 4757/4885KMT2A 1754/4885

“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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