SCHEMBL4054428

SCHEMBL4054428

O=C1Oc2c(Br)cccc2Cc2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.37
HKDC1 Q2TB90 2/20 0.35
PADI1 Q9ULC6 2/20 0.35
PADI3 Q9ULW8 2/20 0.35
PADI4 Q9UM07 2/20 0.35
PADI2 Q9Y2J8 2/20 0.35
ATG4B Q9Y4P1 1/20 0.35
TDP2 O95551 2/20 0.34
NSD2 O96028 2/20 0.34
PAX8 Q06710 2/20 0.34
ABL1 P00519 1/20 0.34
PLCG1 P19174 1/20 0.34
CES1 P23141 1/20 0.34
RIN1 Q13671 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4051989 0.83 ALDH1A1 (0.41) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL4056294 0.82 LMNA (0.41) HKDC1PADI1PADI3PADI4PADI2
SCHEMBL10701726 0.79 PDE10A (0.43) PAX8MEN1KMT2ATDP1
SCHEMBL11249957 0.77 MAOA (0.41) MEN1THRBKMT2ATDP1
SCHEMBL11273607 0.76 KDM4E (0.44) CDC25BTDP1
SCHEMBL2197993 0.76 MAOA (0.53) CDC25BTDP2NSD2PAX8ABL1
SCHEMBL1919127 0.75 CCNB2 (0.37) CDC25BTDP2NSD2PAX8ABL1
SCHEMBL3520803 0.74 AKR1B1 (0.44)
SCHEMBL577689 0.71 TDP1 (0.42) CDC25BTDP2NSD2PAX8ABL1
SCHEMBL11813909 0.69 MAOA (0.59) GAA

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-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 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-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LTA4H, LTC4S, LTB4R2 CDC25B 3923/4885HKDC1 4012/4885PADI1 918/4885

“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.