SCHEMBL7143974

SCHEMBL7143974

CCOC(=O)CCNC(=O)CNC(=O)c1sc(NC(=N)N)nc1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 3/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
CSNK1D P48730 3/20 0.48
KIFC1 Q9BW19 5/20 0.46
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7140171 0.93 KIFC1 (0.52) ALDH1A1LMNANPC1PKMRAB9A
SCHEMBL7143605 0.87 ALDH1A1 (0.44) ALDH1A1LMNANPC1PKMRAB9A
SCHEMBL7145538 0.81 CYP1A2 (0.46) ALDH1A1LMNANPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7145352 0.78 KIFC1 (0.44) ALDH1A1LMNANPC1RAB9ARXFP1
Hydrochloric Acid SCHEMBL27563744 0.78 KIFC1 (0.44) ALDH1A1LMNANPC1RAB9ARXFP1
Hydrochloric Acid SCHEMBL8067753 0.77 ALDH1A1 (0.56) ALDH1A1LMNANPC1PKMRAB9A
SCHEMBL7143985 0.76 ALDH1A1 (0.51) ALDH1A1LMNANPC1PKMRAB9A
SCHEMBL2208204 0.76 ALDH1A1 (0.72) ALDH1A1LMNANPC1RAB9AKDM4E
Acetone SCHEMBL7140518 0.75 ALDH1A1 (0.49) ALDH1A1LMNANPC1PKMRAB9A
Hydrochloric Acid SCHEMBL7147143 0.75 ALDH1A1 (0.70) ALDH1A1LMNANPC1RAB9AKDM4E

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 3184/4885NPC1 987/4885

“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.