SCHEMBL7143965

SCHEMBL7143965

COC(=O)c1nc(NC(=N)N)sc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HSD17B10 Q99714 2/20 0.64
HPGD P15428 1/20 0.64
GAA P10253 1/20 0.61
PKM P14618 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
XIAP P98170 3/20 0.46
RCE1 Q9Y256 1/20 0.45
GRM6 O15303 1/20 0.44
GRM5 P41594 1/20 0.44
ALOX5 P09917 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
RORC P51449 2/20 0.42
ATAD2 Q6PL18 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7142125 0.87 XIAP (0.47) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
Hydrochloric Acid SCHEMBL7138896 0.86 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL4870668 0.85 GAA (0.65) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
Hydrochloric Acid SCHEMBL7143736 0.82 SLC6A4 (0.44) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL19974144 0.80 GAA (0.59) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL7136639 0.79 FNTA (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496802 0.78 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL10668481 0.77 LMNA (0.40) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL7138779 0.76 RAB9A (0.49) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496791 0.76 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 4278/4885ALDH1A1 1400/4885SMN1; SMN2 3186/4885

“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.