SCHEMBL1774366

SCHEMBL1774366

CCOC(=O)c1cnc(SC)nc1Nc1ccc(OCC)cc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
ALDH1A1 P00352 5/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
SYK P43405 2/20 0.59
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
FOS P01100 1/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL1774479 0.93 MAPT (0.61) MAPTALDH1A1LMNASMN1; SMN2SYK
SCHEMBL1773964 0.90 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2SYK
SCHEMBL1773844 0.90 LMNA (0.49) MAPTALDH1A1LMNASMN1; SMN2SYK
SCHEMBL1773901 0.88 MAPT (0.62) MAPTALDH1A1LMNASMN1; SMN2SYK
SCHEMBL1774655 0.88 MAPT (0.62) MAPTALDH1A1LMNASMN1; SMN2SYK
SCHEMBL2174009 0.85 ALDH1A1 (0.76) MAPTALDH1A1LMNASMN1; SMN2SYK
SCHEMBL1774109 0.85 ALDH1A1 (0.63) MAPTALDH1A1LMNASMN1; SMN2SYK
SCHEMBL1775728 0.85 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2SYK
SCHEMBL4704350 0.84 ALDH1A1 (0.43) MAPTALDH1A1LMNASMN1; SMN2SYK
SCHEMBL1774892 0.84 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943608-B2 Diazepinoes MERCK PATENT GMBH (DE) 2011-05-17 US disclosed
US-20080318934-A1 Diazepinoes MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US 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-20080318934-A1 Diazepinoes CDK1, MAP3K11, MAP3K1 MAPT 904/4885ALDH1A1 1652/4885LMNA 1800/4885

“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.