SCHEMBL559989

SCHEMBL559989

COC(=O)c1cc(C(=O)c2ccc(N(C)c3ccc(Cl)cc3)cc2)ccc1-n1cc(-c2ccccc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
LTC4S Q16873 8/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
ABCB1 P08183 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NLRP3 Q96P20 1/20 0.39
KCNMA1 Q12791 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL559563 0.91 BCHE (0.45) BCHELTC4SABCG2ABCB1MEN1
SCHEMBL559540 0.85 LTC4S (0.44) LTC4S
SCHEMBL559486 0.80 LTC4S (0.43) LTC4SMEN1KMT2A
SCHEMBL239169 0.73 LTC4S (0.55) LTC4S
SCHEMBL1724154 0.73 LTC4S (0.49) LTC4SMEN1KMT2A
SCHEMBL2888878 0.73 KDM4E (0.48) LTC4SMEN1KMT2ARAB9A
SCHEMBL2884843 0.72 POLB (0.53) LTC4SMEN1KMT2ANPC1
SCHEMBL559628 0.70 LTC4S (0.47) LTC4S
SCHEMBL559195 0.70 LTC4S (0.41) LTC4SMEN1KMT2A
SCHEMBL232232 0.70 LMNA (0.50) LTC4SMEN1KMT2ANPC1RAB9A

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
EP-2429994-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-03-21 EP disclosed
US-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-02-09 US disclosed
WO-2010103283-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 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 (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 1/4885ABCG2 836/4885

“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.