SCHEMBL6859778

SCHEMBL6859778

CCOC(=O)Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.51
ESR1 P03372 1/20 0.48
LMNA P02545 4/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL11154751 0.89 RAB9A (0.51) LMNAMAPTALDH1A1KDM4EPOLB
SCHEMBL11310051 0.86 LMNA (0.45) GPR35LMNAMEN1HTTKMT2A
SCHEMBL5099169 0.84 HSP90AB1 (0.56) GPR35ESR1ALDH1A1GAA
SCHEMBL1694828 0.84 MAPT (0.49) GPR35LMNAMEN1HTTKMT2A
SCHEMBL5201986 0.81 LMNA (0.49) LMNAMEN1HTTKMT2AMAPT
SCHEMBL4029398 0.81 LMNA (0.49) GPR35LMNAMEN1HTTKMT2A
SCHEMBL5092015 0.81 LMNA (0.49) LMNAMEN1HTTKMT2AMAPT
SCHEMBL29185264 0.80 LMNA (0.41) LMNAMEN1HTTKMT2AMAPT
SCHEMBL15270721 0.80 LMNA (0.53) LMNAMEN1HTTKMT2AMAPT
SCHEMBL31085600 0.80 LMNA (0.53) LMNAMEN1HTTKMT2AMAPT

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-20110105482-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2011-05-05 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-20110105482-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS TEK, THRA, TSHR GPR35 757/4885ESR1 1638/4885LMNA 4609/4885

“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.