SCHEMBL7143985

SCHEMBL7143985

CCOC(=O)CC(NC(=O)CCNC(=O)c1sc(NC(=N)N)nc1C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KIFC1 Q9BW19 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
CSNK1D P48730 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
SCD O00767 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42

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
Acetone SCHEMBL7140518 0.98 ALDH1A1 (0.49) ALDH1A1LMNAKIFC1MEN1KMT2A
Ethyl Acetate SCHEMBL7141371 0.91 KIFC1 (0.46) ALDH1A1LMNAKIFC1MEN1KMT2A
Hydrochloric Acid SCHEMBL8067753 0.91 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7143622 0.91 ITGB3 (0.51) ALDH1A1LMNAKIFC1MEN1KMT2A
SCHEMBL7139882 0.86 SMN1; SMN2 (0.45) ALDH1A1LMNAKDM4ERXFP1NPC1
SCHEMBL7147848 0.84 ALDH1A1 (0.53) ALDH1A1LMNAKIFC1MEN1KMT2A
SCHEMBL7145275 0.82 ITGB3 (0.49) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7140503 0.81 ALDH1A1 (0.49) ALDH1A1LMNAKIFC1MEN1KMT2A
SCHEMBL7140171 0.81 KIFC1 (0.52) ALDH1A1LMNAKIFC1KDM4ENPSR1
Hydrochloric Acid SCHEMBL7145741 0.81 ITGB3 (0.49) ALDH1A1LMNAMEN1KMT2AKDM4E

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 ALDH1A1 1400/4885LMNA 3184/4885KIFC1 3379/4885

“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.