SCHEMBL7521160

SCHEMBL7521160

O=C(O)COc1cccc2c1CCc1sc(SCc3ccccc3-c3ccc([N+](=O)[O-])cc3)nc1-2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARD Q03181 4/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
EIF4E P06730 2/20 0.35
TYMP P19971 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC29A1 Q99808 3/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7523175 0.90 PTGIR (0.41) PTGDR2MEN1KMT2APPARDUSP2
SCHEMBL7518603 0.89 PTGIR (0.41) PTGDR2MAPTMEN1KMT2AMAPK1
SCHEMBL7524424 0.89 PPARD (0.41) PTGDR2MAPTMEN1KMT2APPARD
SCHEMBL7520987 0.88 PPARD (0.49) PTGDR2PPARD
SCHEMBL7521470 0.87 PTGDR2 (0.42) PTGDR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7527935 0.87 PPARD (0.41) PTGDR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7976487 0.85 PPARA (0.37) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL7524448 0.85 PTGDR2 (0.41) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL7522028 0.84 PTGIR (0.43) PTGDR2MEN1KMT2APPARDUSP2
SCHEMBL7555833 0.84 PTGIR (0.43) PTGDR2MEN1KMT2APPARDUSP2

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-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

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 PTGDR2 10/4885MAPT 4864/4885ALDH1A1 1662/4885

“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.