SCHEMBL7249161

SCHEMBL7249161

CCOC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
PLA2G1B P04054 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
HTT P42858 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.54
GAA P10253 1/20 0.54
GCGR P47871 1/20 0.53
SENP1 Q9P0U3 1/20 0.53
MAPK1 P28482 1/20 0.52
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4673796 0.90 MAPT (0.57) MAPTPLA2G1BATG4BHTTMEN1
SCHEMBL4678921 0.81 MAPT (0.70) MAPTPLA2G1BATG4BHTTMEN1
Hydrochloric Acid SCHEMBL7084627 0.81 MAPT (0.54) MAPTHTTKMT2AALDH1A1MAPK1
SCHEMBL7353785 0.81 HSD17B10 (0.62) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL16208454 0.79 KCNH2 (0.64) MAPTPLA2G1BATG4BHTTMEN1
SCHEMBL19246210 0.79 MAPT (0.68) MAPTPLA2G1BATG4BHTTMEN1
SCHEMBL28307940 0.79 MAPT (0.63) MAPTALDH1A1LMNA
SCHEMBL944312 0.78 POLB (0.72) MAPTMEN1KMT2AALDH1A1
SCHEMBL2449511 0.78 SMN1; SMN2 (0.50) MAPTHTTALDH1A1GAA
SCHEMBL10492889 0.77 MAPT (0.52) MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 MAPT 4824/4885PLA2G1B 688/4885ATG4B 3879/4885

“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.