SCHEMBL1774657

SCHEMBL1774657

CCOC(=O)c1cnc(SC)nc1Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SYK P43405 2/20 0.56
MAPK1 P28482 3/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
POLB P06746 2/20 0.45
KCNMA1 Q12791 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL1774056 0.91 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2SYKMAPK1
SCHEMBL1773854 0.89 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2SYKMAPK1
SCHEMBL1775728 0.89 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2SYKMAPK1
SCHEMBL1773244 0.88 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2SYKMAPK1
SCHEMBL1775769 0.87 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2SYKMAPK1
SCHEMBL4702543 0.85 MAPK1 (0.44) ALDH1A1MAPTSMN1; SMN2SYKMAPK1
SCHEMBL1773787 0.85 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2SYKMAPK1
SCHEMBL1773901 0.85 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2SYKMAPK1
SCHEMBL1774322 0.80 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2SYKMAPK1
SCHEMBL7797838 0.80 SYK (0.80) ALDH1A1MAPTSMN1; SMN2SYKMAPK1

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 ALDH1A1 1652/4885MAPT 904/4885SMN1; SMN2 2997/4885

“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.