SCHEMBL7523205

SCHEMBL7523205

O=C(O)CCOc1cccc2c1CCc1sc(SC(c3ccccc3)c3ccccc3)nc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGIR P43119 4/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
ALOX5 P09917 1/20 0.34
DHODH Q02127 1/20 0.33
S1PR5 Q9H228 4/20 0.32
ADORA1 P30542 1/20 0.32
XIAP P98170 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PTGDR Q13258 1/20 0.32

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
SCHEMBL7519310 0.90 PTGIR (0.43) NPC1RAB9APTGIRALDH1A1KMT2A
SCHEMBL7523958 0.88 ALDH1A1 (0.36) LMNANPC1RAB9APTGIRUSP2
SCHEMBL7518608 0.86 PTGIR (0.40) LMNANPC1RAB9APTGIRPTGDR
SCHEMBL7523179 0.86 PTGIR (0.40) PTGIRDHODHPTGDR
SCHEMBL7524431 0.85 PTGIR (0.40) PTGIRPTGDR
SCHEMBL7528277 0.84 PTGDR2 (0.41) PTGIRALDH1A1DHODHKMT2APTGDR
SCHEMBL7520989 0.84 PPARD (0.40) NPC1RAB9APTGIRPTGDR
SCHEMBL7522033 0.84 PTGIR (0.41) LMNANPC1RAB9APTGIRALDH1A1
SCHEMBL7555836 0.84 PTGIR (0.41) PTGIRDHODHPTGDR
SCHEMBL7526342 0.84 PTGIR (0.41) PTGIRPTGDR

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 LMNA 2418/4885NPC1 2466/4885RAB9A 2914/4885

“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.