SCHEMBL2805505

SCHEMBL2805505

O=C(Nc1ccc2[nH]nnc2c1)c1csc(N2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ENPP2 Q13822 19/20 0.42
ATXN2 Q99700 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2805530 0.94 MAPT (0.46) LMNAMAPTTSHRNPSR1ENPP2
SCHEMBL2806745 0.91 MAPT (0.45) LMNAMAPTTSHRNPSR1
SCHEMBL2810311 0.91 MAPT (0.42) LMNAMAPTTSHRNPSR1
SCHEMBL2811498 0.91 MAPT (0.42) LMNAMAPTTSHRNPSR1
SCHEMBL2810678 0.89 ENPP2 (0.40) LMNAMAPTTSHRNPSR1ENPP2
SCHEMBL2810120 0.89 MAPT (0.38) LMNAMAPTTSHRNPSR1
SCHEMBL2809858 0.88 ENPP2 (0.43) LMNAMAPTTSHRNPSR1ENPP2
SCHEMBL2809795 0.87 MAPT (0.35) LMNAMAPTTSHRNPSR1ENPP2
SCHEMBL16927718 0.84 CLK1 (0.40) MAPTKCNH2
SCHEMBL13129753 0.84 NAMPT (0.46) MAPTTSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US claimed

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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 LMNA 1974/4885MAPT 1450/4885TSHR 70/4885

“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.