SCHEMBL238390

SCHEMBL238390

COC(=O)c1cc(C(=O)c2ccc(NCc3ccc(Cl)cc3)cn2)ccc1-n1nc(C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.39
LTC4S Q16873 5/20 0.38
PTGS2 P35354 3/20 0.37
F2 P00734 1/20 0.36
PTGS1 P23219 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL239083 0.93 LTC4S (0.41) MAPTTHRBSMN1; SMN2POLBTP53
SCHEMBL238391 0.85 LTC4S (0.55) LTC4S
SCHEMBL236562 0.78 LTC4S (0.49) LTC4S
SCHEMBL236386 0.78 P4HTM (0.48) MAPTLTC4S
SCHEMBL239082 0.77 LTC4S (0.62) LTC4S
SCHEMBL27830986 0.75 GCGR (0.52)
SCHEMBL239216 0.73 LTC4S (0.62) LTC4S
SCHEMBL238838 0.73 LTC4S (0.60) LTC4S
SCHEMBL236679 0.72 LTC4S (0.51) LTC4SNR1H2NR1H3
SCHEMBL239169 0.70 LTC4S (0.55) 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 4 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
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 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 (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-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R MAPT 3787/4885THRB 751/4885SMN1; SMN2 4731/4885
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R MAPT 3450/4885THRB 712/4885SMN1; SMN2 4747/4885

“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.