SCHEMBL2806745

SCHEMBL2806745

O=C(Nc1ccc2[nH]nnc2c1)c1csc(N2CCN(C(=O)OCc3ccc(F)cc3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
LMNA P02545 6/20 0.45
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 3/20 0.45
CTNNB1 P35222 2/20 0.40
TCF7L2 Q9NQB0 2/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 4/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
FLT3 P36888 1/20 0.37

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 0.93 MAPT (0.46) MAPTLMNAHTTSMN1; SMN2MAPK1
SCHEMBL2810311 0.92 MAPT (0.42) MAPTLMNAHTTSMN1; SMN2MAPK1
SCHEMBL2811498 0.92 MAPT (0.42) MAPTLMNAHTTSMN1; SMN2MAPK1
SCHEMBL2810678 0.92 ENPP2 (0.40) MAPTLMNAHTTSMN1; SMN2MAPK1
SCHEMBL2809858 0.91 ENPP2 (0.43) MAPTLMNAHTTSMN1; SMN2MAPK1
SCHEMBL2805505 0.91 LMNA (0.43) MAPTLMNATSHRNPSR1
SCHEMBL2810120 0.90 MAPT (0.38) MAPTLMNAHTTSMN1; SMN2MAPK1
SCHEMBL2809795 0.90 MAPT (0.35) MAPTLMNAHTTSMN1; SMN2MAPK1
SCHEMBL2806617 0.83 ENPP2 (0.49) MAPTLMNAHTTSMN1; SMN2MAPK1
SCHEMBL16927718 0.83 CLK1 (0.40) MAPTIRAK4

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 MAPT 1450/4885LMNA 1974/4885HTT 1577/4885

“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.