SCHEMBL7145472

SCHEMBL7145472

CCOC(=O)CC(NC(=O)CNC(=O)c1csc(Nc2ccccn2)n1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGAV P06756 2/20 0.42
ITGA2B P08514 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 3/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7145373 0.89 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL8062334 0.84 NPC1 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7141536 0.83 SMN1; SMN2 (0.46) ITGB3ITGA2BNPC1RAB9AMAPT
SCHEMBL7140609 0.83 LMNA (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8063429 0.82 ROCK2 (0.46) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL7139848 0.81 LMNA (0.45) NPC1RAB9AMAPTLMNAHTT
SCHEMBL7145393 0.80 HIF1A (0.47) NPC1RAB9AMAPTLMNAKDM4E
SCHEMBL8063433 0.79 PARP1 (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7143700 0.77 ROCK2 (0.43) ITGB3ITGAVNPC1RAB9AKMT2A
SCHEMBL7314305 0.76 ITGB3 (0.42) ITGB3ITGA2BNPC1RAB9AMAPT

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 ITGB3 7/4885ITGAV 109/4885ITGA2B 106/4885

“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.