SCHEMBL1775728

SCHEMBL1775728

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 1/20 0.58
SYK P43405 2/20 0.56
MAPK1 P28482 2/20 0.55
HTT P42858 1/20 0.55
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46
PKM P14618 3/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 2/20 0.45

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
SCHEMBL1773244 0.94 MAPT (0.57) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1774056 0.91 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1773854 0.89 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1774657 0.89 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1775769 0.87 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL16695029 0.85 RAB9A (0.46) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL1773787 0.85 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL1774366 0.85 MAPT (0.62) MAPTALDH1A1SMN1; SMN2LMNASYK
SCHEMBL14000435 0.81 KCNMA1 (0.48) MAPTSMN1; SMN2LMNAMAPK1PKM
SCHEMBL1774322 0.80 MAPT (0.59) MAPTALDH1A1SMN1; SMN2LMNASYK

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 1652/4885SMN1; 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.