SCHEMBL7140503

SCHEMBL7140503

CCOC(=O)CC(NC(=O)c1cccc(NC(=O)c2sc(NC(=N)N)nc2C)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MAPT P10636 6/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 2/20 0.43
CLK1 P49759 1/20 0.43
KIFC1 Q9BW19 3/20 0.43

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
SCHEMBL7146957 0.91 ITGB3 (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
Hydrochloric Acid SCHEMBL7140471 0.90 ITGB3 (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL7142111 0.87 MEN1 (0.44) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL7145097 0.86 ITGB3 (0.47) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL7147810 0.86 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ESMN1; SMN2ITGB3
SCHEMBL7144065 0.86 ITGB3 (0.45) ALDH1A1SMN1; SMN2HTTITGB3ITGA2B
SCHEMBL3601272 0.85 ITGB3 (0.44) ALDH1A1LMNAKDM4EITGB3ITGA2B
SCHEMBL7140639 0.84 MAPT (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
Hydrochloric Acid SCHEMBL8067753 0.82 ALDH1A1 (0.56) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL3606993 0.82 KMT2A (0.54) ALDH1A1LMNAKDM4ESMN1; SMN2HTT

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 ALDH1A1 1400/4885LMNA 3184/4885KDM4E 4278/4885

“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.