SCHEMBL5740574

SCHEMBL5740574

CN(C)CC(=O)Nc1ccc2c(=O)c3c(sc2c1)CC(C)(C)CC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.39
TNKS O95271 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP12 Q9H0J9 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
KIF11 P52732 2/20 0.38
NPY5R Q15761 4/20 0.38
TRPM2 O94759 1/20 0.37
TERT O14746 2/20 0.36
MAPT P10636 1/20 0.35
AAK1 Q2M2I8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC34A2 O95436 2/20 0.33
F2 P00734 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
SCHEMBL5741506 0.89 RAB9A (0.38) KIF11MAPTALDH1A1
SCHEMBL5739066 0.77 MMP12 (0.35) ALDH1A1
SCHEMBL5741839 0.75 RXRA (0.37) KIF11SLC34A2
SCHEMBL5740408 0.75 SLC34A2 (0.35) KIF11SLC34A2
SCHEMBL5740285 0.75 CYP26A1 (0.40) KIF11MAPTALDH1A1SLC34A2
SCHEMBL5741410 0.74 BRD4 (0.35) PARP1KIF11
SCHEMBL5738947 0.73 LIMK1 (0.35) KIF11MAPT
SCHEMBL5740233 0.73 LIMK1 (0.40) KIF11MAPTALDH1A1
SCHEMBL5740798 0.73 LIMK1 (0.33) KIF11SLC34A2
SCHEMBL5739271 0.73 ALDH1A1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 WO 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA PARP1 2365/4885TNKS 752/4885PARP15 2350/4885

“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.