SCHEMBL5642964

SCHEMBL5642964

O=C(NCc1ccc(F)cc1Cl)c1ccc(I)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
NLRP1 Q9C000 1/20 0.53
ROCK2 O75116 4/20 0.53
ROCK1 Q13464 2/20 0.53
EPHX2 P34913 8/20 0.52
NR1H4 Q96RI1 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
P2RX7 Q99572 2/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL5645497 0.86 ROCK2 (0.58) LMNAMAPK1NLRP1ROCK2ROCK1
SCHEMBL5643117 0.86 LMNA (0.71) LMNAMAPK1NLRP1ROCK2ROCK1
SCHEMBL5643080 0.86 SMN1; SMN2 (0.57) LMNAMAPK1NLRP1ROCK2ROCK1
SCHEMBL5643140 0.86 EPHX2 (0.54) EPHX2NR1H4
SCHEMBL23021932 0.77 ROCK2 (0.70) ROCK2ROCK1EPHX2P2RX7
SCHEMBL21724695 0.77 HSD11B1 (0.58) LMNAP2RX7HSD11B1
SCHEMBL2831744 0.76 P2RX7 (0.56) LMNAP2RX7HSD11B1
SCHEMBL6357659 0.76 TP53 (0.56) ROCK2ROCK1P2RX7
SCHEMBL6357645 0.75 ALDH1A1 (0.53) LMNAMAPK1NLRP1ROCK2ROCK1
SCHEMBL3727336 0.75 HSD11B1 (0.55) LMNAP2RX7HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO 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 (2 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 LMNA 3346/4885MAPK1 2487/4885NLRP1 279/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES LMNA 2102/4885MAPK1 2323/4885NLRP1 278/4885

“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.