SCHEMBL7523936

SCHEMBL7523936

O=C(O)COc1cccc2c1CCc1sc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
NPSR1 Q6W5P4 4/20 0.41
GAA P10253 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
PSMD14 O00487 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL7523943 1.00 MAPT (0.41) MAPTNPSR1GAAPTGDR2MEN1
SCHEMBL7974227 0.85 MAPT (0.38) MAPTNPSR1GAAMEN1KMT2A
SCHEMBL7974229 0.85 MAPT (0.38) MAPTNPSR1GAAMEN1KMT2A
SCHEMBL7521164 0.80 PTGDR2 (0.39) MAPTNPSR1GAAPTGDR2MEN1
SCHEMBL7521160 0.79 PTGDR2 (0.43) MAPTGAAPTGDR2MEN1KMT2A
SCHEMBL7523879 0.76 PPARD (0.43) MAPTMEN1KMT2ATDP1RAB9A
SCHEMBL7519031 0.74 PTGIR (0.42) MEN1KMT2ATDP1RAB9AALDH1A1
SCHEMBL7524456 0.74 PTGDR2 (0.38) MAPTPTGDR2MEN1KMT2ALMNA
SCHEMBL7517921 0.74 KDM4E (0.41) PTGDR2MEN1KMT2ATDP1RAB9A
SCHEMBL7526025 0.74 KDM4E (0.42) PTGDR2MEN1KMT2ATDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR MAPT 4864/4885NPSR1 64/4885GAA 4866/4885

“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.