SCHEMBL559563

SCHEMBL559563

CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(-n3cc(-c4ccccc4)nn3)c(C(=O)O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
LTC4S Q16873 17/20 0.44
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 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
SCHEMBL559540 0.94 LTC4S (0.44) LTC4S
SCHEMBL559989 0.91 BCHE (0.42) BCHELTC4SMEN1CASP3KMT2A
SCHEMBL559628 0.79 LTC4S (0.47) LTC4S
SCHEMBL560196 0.75 LTC4S (0.47) LTC4S
SCHEMBL240736 0.71 LTC4S (0.59) LTC4S
SCHEMBL13836542 0.71 ABCG2 (0.53) BCHEMEN1CASP3KMT2ASENP8
SCHEMBL559486 0.70 LTC4S (0.43) LTC4SMEN1KMT2A
SCHEMBL238185 0.70 LTC4S (0.61) LTC4S
SCHEMBL240033 0.70 LTC4S (0.59) LTC4S
SCHEMBL240069 0.70 LTC4S (0.62) LTC4S

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-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-02-09 US disclosed
US-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-02-09 US disclosed
US-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-02-09 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-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R BCHE 1487/4885LTC4S 1/4885MEN1 3988/4885

“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.