SCHEMBL2810198

SCHEMBL2810198

O=C(Nc1ccc2[nH]nnc2c1)c1csc(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
POLB P06746 5/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATF4 P18848 1/20 0.42
MCHR1 Q99705 6/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.38
MEN1 O00255 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
SCHEMBL3715775 0.89 MAPT (0.42) MAPTPOLBTP53SMN1; SMN2L3MBTL1
SCHEMBL2809666 0.86 LMNA (0.42) MAPTTP53SMN1; SMN2L3MBTL1MCHR1
SCHEMBL2807759 0.86 MCHR1 (0.44) MAPTPOLBSMN1; SMN2L3MBTL1MCHR1
SCHEMBL2809050 0.85 ENPP2 (0.43) MAPTSMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL16938617 0.84 MAPT (0.35) MAPTPOLBTP53LMNA
SCHEMBL16927758 0.84 NFKB1 (0.40) MAPTHPGDRAB9AUSP2
SCHEMBL13129773 0.82 ENPP2 (0.41) MAPTTP53HPGD
SCHEMBL2808900 0.81 ENPP2 (0.41) MAPTTP53LMNAKMT2A
SCHEMBL16927759 0.80 NFKB1 (0.39) MAPTUSP2
SCHEMBL2810118 0.79 EPHX2 (0.42) MAPTPOLBTP53MCHR1

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 9 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
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
WO-2009046842-A2 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2009-04-16 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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 MAPT 1450/4885POLB 2535/4885TP53 472/4885

“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.