SCHEMBL7144479

SCHEMBL7144479

CCOC(=O)CC(CCCCNC(=O)c1sc(N=C2NC=CCN2)nc1C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 3/20 0.35
F2 P00734 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MAPT P10636 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
Acetic Acid SCHEMBL7144685 0.89 ITGB3 (0.39) ALDH1A1NPC1SMN1; SMN2HPGDITGB3
SCHEMBL7144477 0.83 ALDH1A1 (0.39) ALDH1A1LMNAKDM4ENPSR1RXFP1
SCHEMBL27492391 0.80 ALDH1A1 (0.39) ALDH1A1LMNAKDM4ENPSR1RXFP1
SCHEMBL7147848 0.75 ALDH1A1 (0.53) ALDH1A1LMNAKDM4ENPSR1RXFP1
SCHEMBL7141440 0.74 LCK (0.54) ALDH1A1LMNAKDM4ENPSR1RXFP1
Acetic Acid SCHEMBL7144681 0.73 ITGB3 (0.38) ALDH1A1LMNANPC1SMN1; SMN2HPGD
SCHEMBL7305117 0.66 F2 (0.47) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL7140672 0.65 ITGB3 (0.51) ALDH1A1LMNAKDM4ENPSR1RXFP1
SCHEMBL7140676 0.65 ITGB3 (0.51) ALDH1A1LMNAKDM4ENPSR1RXFP1
SCHEMBL4405175 0.65 F2 (0.56) ALDH1A1LMNANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US claimed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 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 3184/4885KDM4E 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.