SCHEMBL7143987

SCHEMBL7143987

N=C(N)Nc1nc(C(=O)O)c(-c2cccc(NC(=O)CC(CC(=O)O)c3ccccc3)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
FNTA P49354 10/20 0.41
FNTB P49356 10/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
APEX1 P27695 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
ITGA2B P08514 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
SCHEMBL7136639 0.92 FNTA (0.43) HTTSMN1; SMN2FNTAFNTBKDM4E
SCHEMBL3602477 0.89 XIAP (0.45) HTTSMN1; SMN2FNTAFNTBKDM4E
SCHEMBL3608201 0.88 FNTA (0.41) HTTSMN1; SMN2FNTAFNTBKDM4E
SCHEMBL3601509 0.86 FNTA (0.40) HTTSMN1; SMN2FNTAFNTBKDM4E
Acetic Acid SCHEMBL7142519 0.86 FNTA (0.40) HTTSMN1; SMN2FNTAFNTBKDM4E
SCHEMBL3598726 0.85 FNTA (0.39) HTTSMN1; SMN2FNTAFNTBKDM4E
SCHEMBL3600614 0.84 FNTA (0.39) HTTSMN1; SMN2FNTAFNTBKDM4E
SCHEMBL3593206 0.83 FNTA (0.46) HTTSMN1; SMN2FNTAFNTBKDM4E
SCHEMBL3611002 0.82 FNTA (0.48) HTTSMN1; SMN2FNTAFNTBKDM4E
SCHEMBL3602040 0.82 FNTA (0.43) HTTSMN1; SMN2FNTAFNTBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US claimed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 HTT 3020/4885SMN1; SMN2 3186/4885FNTA 429/4885

“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.